4-methylbenzenesulfonate; 12-methyl-6H-isochromeno[4,3-c]quinolin-12-ium

Systemtic Name: 4-methylbenzenesulfonate; 12-methyl-6H-isochromeno[4,3-c]quinolin-12-ium Openeye Name: 4-methylbenzenesulfonate; 12-methyl-6H-isochromeno[4,3-c]quinolin-12-ium CAS Name: 4-methylbenzenesulfonate; 12-methyl-6H-[2]benzopyrano[4,3-c]quinolin-12-ium IUPAC Name: 4-methylbenzenesulfonate; 12-methyl-6H-isochromeno[4,3-c]quinolin-12-ium Traditional Name: 12-methyl-6H-isochromeno[4,3-c]quinolin-12-ium tosylate Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC2=C(C3=CC=CC=C31)OCC4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC2=C(C3=CC=CC=C31)OCC4=CC=CC=C42

InChI

InChI=1S/C17H14NO.C7H8O3S/c1-18-10-15-13-7-3-2-6-12(13)11-19-17(15)14-8-4-5-9-16(14)18;1-6-2-4-7(5-3-6)11(8,9)10/h2-10H,11H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1