3-butyl-1,1-dimethyl-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]benzo[e]indol-3-ium

Systemtic Name: 3-butyl-1,1-dimethyl-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]benzo[e]indol-3-ium Openeye Name: 3-butyl-1,1-dimethyl-2-[2-(1,3,3-trimethylindolin-2-ylidene)vinyl]benzo[e]indol-3-ium CAS Name: 3-butyl-1,1-dimethyl-2-[2-(1,3,3-trimethyl-2-indolylidene)ethenyl]benzo[e]indol-3-ium IUPAC Name: 3-butyl-1,1-dimethyl-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]benzo[e]indol-3-ium Traditional Name: 3-butyl-1,1-dimethyl-2-[2-(1,3,3-trimethylindolin-2-ylidene)vinyl]benz[e]indol-3-ium Formula: C31H35N2+ MolecularWeight: 435.623

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=C=C4C(C5=CC=CC=C5N4C)(C)C

Isomeric SMILES

CCCC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C=C=C4C(C5=CC=CC=C5N4C)(C)C

InChI

InChI=1S/C31H35N2/c1-7-8-21-33-26-18-17-22-13-9-10-14-23(22)29(26)31(4,5)28(33)20-19-27-30(2,3)24-15-11-12-16-25(24)32(27)6/h9-18,20H,7-8,21H2,1-6H3/q+1