ASM-024

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H25N2.C7H7O3S
Molecular Weight	404.566
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CC[N+]2(CC)CCCN(CC2)C3=CC=CC=C3

InChI

InChIKey=PXRYYARWCNIUKT-UHFFFAOYSA-M

InChI=1S/C15H25N2.C7H8O3S/c1-3-17(4-2)13-8-11-16(12-14-17)15-9-6-5-7-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,9-10H,3-4,8,11-14H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C7H7O3S
Molecular Weight	171.194
Charge	-1
Count

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

Molecular Formula	C15H25N2
Molecular Weight	233.3724
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:09:52 UTC 2023` Edited by `admin` on `Sat Dec 16 11:09:52 UTC 2023`
Record UNII	R67KC9COEN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASM-024

Common Name

English

1H-1,4-DIAZEPINIUM, 1,1-DIETHYLHEXAHYDRO-4-PHENYL-, 4-METHYLBENZENESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

R67KC9COEN