4-methylbenzenesulfonate; 2-methyl-1-phenyl-9H-pyrido[3,4-b]indol-2-ium

Systemtic Name: 4-methylbenzenesulfonate; 2-methyl-1-phenyl-9H-pyrido[3,4-b]indol-2-ium Openeye Name: 4-methylbenzenesulfonate; 2-methyl-1-phenyl-9H-pyrido[3,4-b]indol-2-ium CAS Name: 4-methylbenzenesulfonate; 2-methyl-1-phenyl-9H-pyrido[3,4-b]indol-2-ium IUPAC Name: 4-methylbenzenesulfonate; 2-methyl-1-phenyl-9H-pyrido[3,4-b]indol-2-ium Traditional Name: 2-methyl-1-phenyl-9H-$b-carbolin-2-ium tosylate Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(C2=C(C=C1)C3=CC=CC=C3N2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(C2=C(C=C1)C3=CC=CC=C3N2)C4=CC=CC=C4

InChI

InChI=1S/C18H14N2.C7H8O3S/c1-20-12-11-15-14-9-5-6-10-16(14)19-17(15)18(20)13-7-3-2-4-8-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-12H,1H3;2-5H,1H3,(H,8,9,10)