4-methylbenzenesulfonate; 1-methyl-N-(propan-2-ylideneamino)pyridin-1-ium-3-carboxamide

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-N-(propan-2-ylideneamino)pyridin-1-ium-3-carboxamide Openeye Name: N-(isopropylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 1-methyl-N-(propan-2-ylideneamino)-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-N-(propan-2-ylideneamino)pyridin-1-ium-3-carboxamide Traditional Name: N-(isopropylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide tosylate Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3O.C7H8O3S/c1-8(2)11-12-10(14)9-5-4-6-13(3)7-9;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3H3;2-5H,1H3,(H,8,9,10)