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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-3-phenylpropylideneamino]pyridin-1-ium-3-carboxamide Openeye Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-3-phenylpropylideneamino]pyridin-1-ium-3-carboxamide CAS Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-3-phenylpropylideneamino]-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-3-phenylpropylideneamino]pyridin-1-ium-3-carboxamide Traditional Name: 1-methyl-N-[(E)-3-phenylpropylideneamino]pyridin-1-ium-3-carboxamide; tosylic acid Formula: C23H26N3O4S+ MolecularWeight: 440.53524

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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=CCCC2=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/CCC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O.C7H8O3S/c1-19-12-6-10-15(13-19)16(20)18-17-11-5-9-14-7-3-2-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,6-8,10-13H,5,9H2,1H3;2-5H,1H3,(H,8,9,10)/p+1/b17-11+;