7-methoxy-1,2,9-trimethyl-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate

Systemtic Name: 7-methoxy-1,2,9-trimethyl-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate Openeye Name: 7-methoxy-1,2,9-trimethyl-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate CAS Name: 7-methoxy-1,2,9-trimethylpyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate IUPAC Name: 7-methoxy-1,2,9-trimethylpyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate Traditional Name: 7-methoxy-1,2,9-trimethyl-$b-carbolin-2-ium tosylate Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C=CC2=C1N(C3=C2C=CC(=C3)OC)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C=CC2=C1N(C3=C2C=CC(=C3)OC)C)C

InChI

InChI=1S/C15H17N2O.C7H8O3S/c1-10-15-13(7-8-16(10)2)12-6-5-11(18-4)9-14(12)17(15)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-9H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1