benzenesulfonate; 4-[3-(4-bromophenyl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]-N,N-dimethyl-aniline

Systemtic Name: benzenesulfonate; 4-[3-(4-bromophenyl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]-N,N-dimethyl-aniline Openeye Name: benzenesulfonate; 4-[3-(4-bromophenyl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]-N,N-dimethyl-aniline CAS Name: benzenesulfonate; 4-[3-(4-bromophenyl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]-N,N-dimethylaniline IUPAC Name: benzenesulfonate; 4-[3-(4-bromophenyl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]-N,N-dimethylaniline Traditional Name: [4-[3-(4-bromophenyl)-9H-$b-carbolin-2-ium-2-yl]phenyl]-dimethyl-amine besylate Formula: C31H26BrN3O3S MolecularWeight: 600.52544

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)[N+]2=C(C=C3C4=CC=CC=C4NC3=C2)C5=CC=C(C=C5)Br.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[N+]2=C(C=C3C4=CC=CC=C4NC3=C2)C5=CC=C(C=C5)Br.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C25H20BrN3.C6H6O3S/c1-28(2)19-11-13-20(14-12-19)29-16-24-22(21-5-3-4-6-23(21)27-24)15-25(29)17-7-9-18(26)10-8-17;7-10(8,9)6-4-2-1-3-5-6/h3-16H,1-2H3;1-5H,(H,7,8,9)