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

Systemtic Name: ethyl 4-methoxy-2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-carboxylate; 4-methylbenzenesulfonate Openeye Name: ethyl 4-methoxy-2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-carboxylate; 4-methylbenzenesulfonate CAS Name: 4-methoxy-2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-carboxylic acid ethyl ester; 4-methylbenzenesulfonate IUPAC Name: ethyl 4-methoxy-2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-carboxylate; 4-methylbenzenesulfonate Traditional Name: 4-methoxy-2-methyl-9H-$b-carbolin-2-ium-1-carboxylic acid ethyl ester tosylate Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3.C7H8O3S/c1-4-21-16(19)15-14-13(12(20-3)9-18(15)2)10-7-5-6-8-11(10)17-14;1-6-2-4-7(5-3-6)11(8,9)10/h5-9H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)