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

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-N-(2-methylpropylideneamino)pyridin-1-ium-3-carboxamide Openeye Name: 4-methylbenzenesulfonate; 1-methyl-N-(2-methylpropylideneamino)pyridin-1-ium-3-carboxamide CAS Name: 4-methylbenzenesulfonate; 1-methyl-N-(2-methylpropylideneamino)-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-N-(2-methylpropylideneamino)pyridin-1-ium-3-carboxamide Traditional Name: 1-methyl-N-(2-methylpropylideneamino)pyridin-1-ium-3-carboxamide tosylate Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O.C7H8O3S/c1-9(2)7-12-13-11(15)10-5-4-6-14(3)8-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,1-3H3;2-5H,1H3,(H,8,9,10)