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

Systemtic Name: 1-ethenyl-4-methoxy-2-methyl-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate Openeye Name: 4-methoxy-2-methyl-1-vinyl-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate CAS Name: 1-ethenyl-4-methoxy-2-methyl-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate IUPAC Name: 1-ethenyl-4-methoxy-2-methyl-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate Traditional Name: 4-methoxy-2-methyl-1-vinyl-9H-$b-carbolin-2-ium tosylate Formula: C22H22N2O4S MolecularWeight: 410.48608

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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(C3=CC=CC=C3N2)C(=C1)OC)C=C

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O.C7H8O3S/c1-4-12-15-14(13(18-3)9-17(12)2)10-7-5-6-8-11(10)16-15;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,1H2,2-3H3;2-5H,1H3,(H,8,9,10)