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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O.C7H8O3S/c1-4-5-6-7-8-9-11-15(2)18-19-17(21)16-12-10-13-20(3)14-16;1-6-2-4-7(5-3-6)11(8,9)10/h10,12-14H,4-9,11H2,1-3H3;2-5H,1H3,(H,8,9,10)