U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C29H29N2O
Molecular Weight 421.5534
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 1

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

SMILES

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=AUJSGRUXYJANJL-UHFFFAOYSA-N
InChI=1S/C29H29N2O/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/h6-19H,1-5H3/q+1

HIDE SMILES / InChI

Approval Year

Name Type Language
5-Methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium
Systematic Name English
3H-Indolium, 5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)ethenyl]-
Preferred Name English
5-Methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]indol-1-ium
Systematic Name English
5-Methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)ethenyl]-3H-indolium
Systematic Name English
Code System Code Type Description
PUBCHEM
103868
Created by admin on Wed Apr 02 20:32:39 GMT 2025 , Edited by admin on Wed Apr 02 20:32:39 GMT 2025
PRIMARY
FDA UNII
TCV9QSU93X
Created by admin on Wed Apr 02 20:32:39 GMT 2025 , Edited by admin on Wed Apr 02 20:32:39 GMT 2025
PRIMARY
CAS
37713-35-2
Created by admin on Wed Apr 02 20:32:39 GMT 2025 , Edited by admin on Wed Apr 02 20:32:39 GMT 2025
PRIMARY