5-Methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium acetate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H29N2O.C2H3O2
Molecular Weight	480.5974
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 5-Methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium acetate

Structure Search

SMILES

CC([O-])=O.COC1=CC2=C(C=C1)[N+](C)=C(\C=C\C3=C(N(C)C4=C3C=CC=C4)C5=CC=CC=C5)C2(C)C

InChI

InChIKey=GFMILANCGJPXTG-UHFFFAOYSA-M

InChI=1S/C29H29N2O.C2H4O2/c1-29(2)24-19-21(32-5)15-17-26(24)30(3)27(29)18-16-23-22-13-9-10-14-25(22)31(4)28(23)20-11-7-6-8-12-20;1-2(3)4/h6-19H,1-5H3;1H3,(H,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C29H29N2O
Molecular Weight	421.5534
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C2H3O2
Molecular Weight	59.044
Charge	-1
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 `Tue Apr 01 19:36:58 GMT 2025` Edited by `admin` on `Tue Apr 01 19:36:58 GMT 2025`
Record UNII	3P8GBC3GPB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-Methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium acetate

Systematic Name

English

3H-Indolium, 5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)ethenyl]-, acetate

Preferred Name

English

5-Methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]indol-1-ium acetate

Systematic Name

English

Code System Code Type Description

CAS

83969-06-6