2,9-bis(phenylmethyl)pyrido[3,4-b]indol-2-ium bromide

Systemtic Name: 2,9-bis(phenylmethyl)pyrido[3,4-b]indol-2-ium bromide Openeye Name: 2,9-dibenzylpyrido[3,4-b]indol-2-ium bromide CAS Name: 2,9-bis(phenylmethyl)pyrido[3,4-b]indol-2-ium bromide IUPAC Name: 2,9-dibenzylpyrido[3,4-b]indol-2-ium bromide Traditional Name: 2,9-dibenzyl-$b-carbolin-2-ium bromide Formula: C25H21BrN2 MolecularWeight: 429.35164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C=[N+](C=C4)CC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C=[N+](C=C4)CC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C25H21N2.BrH/c1-3-9-20(10-4-1)17-26-16-15-23-22-13-7-8-14-24(22)27(25(23)19-26)18-21-11-5-2-6-12-21;/h1-16,19H,17-18H2;1H/q+1;/p-1