4-methylbenzenesulfonate; 1-methyl-N-[(phenylmethylidene)amino]pyridin-1-ium-3-carboxamide

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-N-[(phenylmethylidene)amino]pyridin-1-ium-3-carboxamide Openeye Name: N-(benzylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 1-methyl-N-[(phenylmethylene)amino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-(benzylideneamino)-1-methylpyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate Traditional Name: N-(benzalamino)-1-methyl-pyridin-1-ium-3-carboxamide tosylate Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)NN=CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)NN=CC2=CC=CC=C2

InChI

InChI=1S/C14H13N3O.C7H8O3S/c1-17-9-5-8-13(11-17)14(18)16-15-10-12-6-3-2-4-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3;2-5H,1H3,(H,8,9,10)