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

Systemtic Name: 2-ethyl-4-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate Openeye Name: 2-ethyl-4-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate CAS Name: 2-ethyl-4-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate IUPAC Name: 2-ethyl-4-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate Traditional Name: 2-ethyl-4-methoxy-1-methyl-9H-$b-carbolin-2-ium tosylate Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C15H16N2O.C7H8O3S/c1-4-17-9-13(18-3)14-11-7-5-6-8-12(11)16-15(14)10(17)2;1-6-2-4-7(5-3-6)11(8,9)10/h5-9H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)