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

Systemtic Name: ethyl 2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-carboxylate; 4-methylbenzenesulfonate Openeye Name: ethyl 2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-carboxylate; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-carboxylate; 4-methylbenzenesulfonate Traditional Name: 2-methyl-9H-$b-carbolin-2-ium-1-carboxylic acid ethyl ester tosylate Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C=CC2=C1NC3=CC=CC=C23)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C=CC2=C1NC3=CC=CC=C23)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H14N2O2.C7H8O3S/c1-3-19-15(18)14-13-11(8-9-17(14)2)10-6-4-5-7-12(10)16-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)