2-(4-methylphenyl)sulfonyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride

Systemtic Name: 2-(4-methylphenyl)sulfonyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride Openeye Name: 2-(p-tolylsulfonyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride CAS Name: 2-(4-methylphenyl)sulfonyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride IUPAC Name: 2-(4-methylphenyl)sulfonyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium chloride Traditional Name: 2-tosyl-4,9-dihydro-3H-$b-carbolin-2-ium chloride Formula: C18H17ClN2O2S MolecularWeight: 360.85778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+]2=CC3=C(CC2)C4=CC=CC=C4N3.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+]2=CC3=C(CC2)C4=CC=CC=C4N3.[Cl-]

InChI

InChI=1S/C18H16N2O2S.ClH/c1-13-6-8-14(9-7-13)23(21,22)20-11-10-16-15-4-2-3-5-17(15)19-18(16)12-20;/h2-9,12H,10-11H2,1H3;1H