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

Systemtic Name: 2,9-bis(phenylmethyl)pyrido[3,4-b]indol-2-ium iodate Openeye Name: 2,9-dibenzylpyrido[3,4-b]indol-2-ium iodate CAS Name: 2,9-bis(phenylmethyl)pyrido[3,4-b]indol-2-ium iodate IUPAC Name: 2,9-dibenzylpyrido[3,4-b]indol-2-ium iodate Traditional Name: 2,9-dibenzyl-$b-carbolin-2-ium iodate Formula: C25H21IN2O3 MolecularWeight: 524.35031

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.[O-]I(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C25H21N2.HIO3/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;2-1(3)4/h1-16,19H,17-18H2;(H,2,3,4)/q+1;/p-1