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

Systemtic Name: 1-ethenyl-2-ethyl-4-methoxy-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate Openeye Name: 2-ethyl-4-methoxy-1-vinyl-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate CAS Name: 1-ethenyl-2-ethyl-4-methoxy-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate IUPAC Name: 1-ethenyl-2-ethyl-4-methoxy-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate Traditional Name: 2-ethyl-4-methoxy-1-vinyl-9H-$b-carbolin-2-ium tosylate Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O.C7H8O3S/c1-4-13-16-15(14(19-3)10-18(13)5-2)11-8-6-7-9-12(11)17-16;1-6-2-4-7(5-3-6)11(8,9)10/h4,6-10H,1,5H2,2-3H3;2-5H,1H3,(H,8,9,10)