4-methylbenzenesulfonate; 1-(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)ethanol

Systemtic Name: 4-methylbenzenesulfonate; 1-(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)ethanol Openeye Name: 4-methylbenzenesulfonate; 1-(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)ethanol CAS Name: 4-methylbenzenesulfonate; 1-(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)ethanol IUPAC Name: 4-methylbenzenesulfonate; 1-(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)ethanol Traditional Name: 1-(2-methyl-9H-$b-carbolin-2-ium-1-yl)ethanol 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-].CC(C1=[N+](C=CC2=C1NC3=CC=CC=C23)C)O

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O.C7H8O3S/c1-9(17)14-13-11(7-8-16(14)2)10-5-3-4-6-12(10)15-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-9,17H,1-2H3;2-5H,1H3,(H,8,9,10)