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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-3-methylbutylideneamino]pyridin-1-ium-3-carboxamide Openeye Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-3-methylbutylideneamino]pyridin-1-ium-3-carboxamide CAS Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-3-methylbutylideneamino]-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-3-methylbutylideneamino]pyridin-1-ium-3-carboxamide Traditional Name: 1-methyl-N-[(E)-3-methylbutylideneamino]pyridin-1-ium-3-carboxamide; tosylic acid Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC=NNC(=O)C1=C[N+](=CC=C1)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C/C=N/NC(=O)C1=C[N+](=CC=C1)C

InChI

InChI=1S/C12H17N3O.C7H8O3S/c1-10(2)6-7-13-14-12(16)11-5-4-8-15(3)9-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,7-10H,6H2,1-3H3;2-5H,1H3,(H,8,9,10)/p+1/b13-7+;