4-methylbenzenesulfonate; 4-methyl-1H-quinoxalin-4-ium-5-one

Systemtic Name: 4-methylbenzenesulfonate; 4-methyl-1H-quinoxalin-4-ium-5-one Openeye Name: 4-methylbenzenesulfonate; 4-methyl-1H-quinoxalin-4-ium-5-one CAS Name: 4-methylbenzenesulfonate; 4-methyl-1H-quinoxalin-4-ium-5-one IUPAC Name: 4-methylbenzenesulfonate; 4-methyl-1H-quinoxalin-4-ium-5-one Traditional Name: 4-methyl-1H-quinoxalin-4-ium-5-one tosylate Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=O)C=CC=C2NC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=O)C=CC=C2NC=C1

InChI

InChI=1S/C9H8N2O.C7H8O3S/c1-11-6-5-10-7-3-2-4-8(12)9(7)11;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)