(6aR,13S)-13-methyl-6,6a,7,12-tetrahydroisoquinolino[2,3-a]quinazolin-13-ium-5-one; 4-methylbenzenesulfonate

Systemtic Name: (6aR,13S)-13-methyl-6,6a,7,12-tetrahydroisoquinolino[2,3-a]quinazolin-13-ium-5-one; 4-methylbenzenesulfonate Openeye Name: (6aR,13S)-13-methyl-6,6a,7,12-tetrahydroisoquinolino[2,3-a]quinazolin-13-ium-5-one; 4-methylbenzenesulfonate CAS Name: (6aR,13S)-13-methyl-6,6a,7,12-tetrahydroisoquinolino[2,3-a]quinazolin-13-ium-5-one; 4-methylbenzenesulfonate IUPAC Name: (6aR,13S)-13-methyl-6,6a,7,12-tetrahydroisoquinolino[2,3-a]quinazolin-13-ium-5-one; 4-methylbenzenesulfonate Traditional Name: (6aR,13S)-13-methyl-6,6a,7,12-tetrahydroisoquinolino[2,3-a]quinazolin-13-ium-5-one tosylate Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]12CC3=CC=CC=C3CC1NC(=O)C4=CC=CC=C24

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N@@+]12CC3=CC=CC=C3C[C@@H]1NC(=O)C4=CC=CC=C24

InChI

InChI=1S/C17H16N2O.C7H8O3S/c1-19-11-13-7-3-2-6-12(13)10-16(19)18-17(20)14-8-4-5-9-15(14)19;1-6-2-4-7(5-3-6)11(8,9)10/h2-9,16H,10-11H2,1H3;2-5H,1H3,(H,8,9,10)/t16-,19+;/m1./s1