LAURYL ISOQUINOLINIUM SACCHARINATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H32N.C7H4NO3S
Molecular Weight	480.662
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LAURYL ISOQUINOLINIUM SACCHARINATE

Structure Search

SMILES

O=C1[N-]S(=O)(=O)C2=C1C=CC=C2.CCCCCCCCCCCC[N+]3=CC=C4C=CC=CC4=C3

InChI

InChIKey=AVZICXRYXLCFCK-UHFFFAOYSA-M

InChI=1S/C21H32N.C7H5NO3S/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h11-12,14-16,18-19H,2-10,13,17H2,1H3;1-4H,(H,8,9)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C21H32N
Molecular Weight	298.4855
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C7H5NO3S
Molecular Weight	183.185
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:03:14 UTC 2023` Edited by `admin` on `Fri Dec 15 15:03:14 UTC 2023`
Record UNII	S5LL54G1G9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LAURYL ISOQUINOLINIUM SACCHARINATE

Official Name

English

LAURYLISOQUINOLINIUM SACCHARINATE

Common Name

English

LAURYL ISOQUINOLINIUM SACCHARINATE [INCI]

Common Name

English

HQ-4330

Code

English

ISOQUINOLINIUM, 2-DODECYL-, SALT WITH 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE (1:1)

Systematic Name

English

LAURYLISOQUINOLINIUM BENZOSULFIMIDE

Common Name

English

ISOQUINOLINIUM, 2-DODECYL-, SALT WITH 1,2-BENZISOTHIAZOLIN-3-ONE 1,1-DIOXIDE (1:1)

Systematic Name

English

HQ-4300

Code

English

Code System Code Type Description

PUBCHEM

17197