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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-(phenylmethylidene)amino]pyridin-1-ium-3-carboxamide Openeye Name: N-[(E)-benzylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-(phenylmethylene)amino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(E)-benzylideneamino]-1-methylpyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: N-[(E)-benzalamino]-1-methyl-pyridin-1-ium-3-carboxamide; tosylic acid Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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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)N/N=C/C2=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)/p+1/b15-10+;