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

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-N-(2-methylnonylideneamino)pyridin-1-ium-3-carboxamide Openeye Name: 4-methylbenzenesulfonate; 1-methyl-N-(2-methylnonylideneamino)pyridin-1-ium-3-carboxamide CAS Name: 4-methylbenzenesulfonate; 1-methyl-N-(2-methylnonylideneamino)-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-N-(2-methylnonylideneamino)pyridin-1-ium-3-carboxamide Traditional Name: 1-methyl-N-(2-methylnonylideneamino)pyridin-1-ium-3-carboxamide tosylate Formula: C24H35N3O4S MolecularWeight: 461.6174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O.C7H8O3S/c1-4-5-6-7-8-10-15(2)13-18-19-17(21)16-11-9-12-20(3)14-16;1-6-2-4-7(5-3-6)11(8,9)10/h9,11-15H,4-8,10H2,1-3H3;2-5H,1H3,(H,8,9,10)