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

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C29H29N2O.O4S
Molecular Weight	939.169
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
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 sulfate (2:1)

Structure Search

SMILES

[O-]S([O-])(=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.COC6=CC7=C(C=C6)[N+](C)=C(\C=C\C8=C(N(C)C9=C8C=CC=C9)C%10=CC=CC=C%10)C7(C)C

InChI

InChIKey=NIUGKBGUKZLVDF-UHFFFAOYSA-L

InChI=1S/2C29H29N2O.H2O4S/c2*1-29(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;1-5(2,3)4/h2*6-19H,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2

HIDE SMILES / InChI

Molecular Formula	O4S
Molecular Weight	96.063
Charge	-2
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:52:33 GMT 2025` Edited by `admin` on `Tue Apr 01 17:52:33 GMT 2025`
Record UNII	R3TVP57CKF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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

Systematic Name

English

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

Preferred Name

English

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

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

286-606-8