N-[(E)-2-(3-butyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)ethenyl]aniline

Systemtic Name: N-[(E)-2-(3-butyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)ethenyl]aniline Openeye Name: N-[(E)-2-(3-butyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)vinyl]aniline CAS Name: N-[(E)-2-(3-butyl-1,1-dimethyl-2-benzo[e]indol-3-iumyl)ethenyl]aniline IUPAC Name: N-[(E)-2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]aniline Traditional Name: [(E)-2-(3-butyl-1,1-dimethyl-benz[e]indol-3-ium-2-yl)vinyl]-phenyl-amine Formula: C26H29N2+ MolecularWeight: 369.52186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C=CNC4=CC=CC=C4

Isomeric SMILES

CCCC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)/C=C/NC4=CC=CC=C4

InChI

InChI=1S/C26H28N2/c1-4-5-19-28-23-16-15-20-11-9-10-14-22(20)25(23)26(2,3)24(28)17-18-27-21-12-7-6-8-13-21/h6-18H,4-5,19H2,1-3H3/p+1