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

Systemtic Name: 4-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate Openeye Name: 4-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate CAS Name: 4-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate IUPAC Name: 4-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium; 4-methylbenzenesulfonate Traditional Name: 4-methoxy-1,2-dimethyl-9H-$b-carbolin-2-ium tosylate Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C=C(C2=C1NC3=CC=CC=C32)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C=C(C2=C1NC3=CC=CC=C32)OC)C

InChI

InChI=1S/C14H14N2O.C7H8O3S/c1-9-14-13(12(17-3)8-16(9)2)10-6-4-5-7-11(10)15-14;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,1-3H3;2-5H,1H3,(H,8,9,10)