1,2,3-trimethyl-3-(phenylmethyl)benzo[e]indol-3-ium bromide

Systemtic Name: 1,2,3-trimethyl-3-(phenylmethyl)benzo[e]indol-3-ium bromide Openeye Name: 3-benzyl-1,2,3-trimethyl-benzo[e]indol-3-ium bromide CAS Name: 1,2,3-trimethyl-3-(phenylmethyl)benzo[e]indol-3-ium bromide IUPAC Name: 3-benzyl-1,2,3-trimethylbenzo[e]indol-3-ium bromide Traditional Name: 3-benzyl-1,2,3-trimethyl-benz[e]indol-3-ium bromide Formula: C22H22BrN MolecularWeight: 380.32078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](C2=C1C3=CC=CC=C3C=C2)(C)CC4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC1=C([N+](C2=C1C3=CC=CC=C3C=C2)(C)CC4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C22H22N.BrH/c1-16-17(2)23(3,15-18-9-5-4-6-10-18)21-14-13-19-11-7-8-12-20(19)22(16)21;/h4-14H,15H2,1-3H3;1H/q+1;/p-1