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

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-N-(2-methylhex-2-enylideneamino)pyridin-1-ium-3-carboxamide Openeye Name: 4-methylbenzenesulfonate; 1-methyl-N-(2-methylhex-2-enylideneamino)pyridin-1-ium-3-carboxamide CAS Name: 4-methylbenzenesulfonate; 1-methyl-N-(2-methylhex-2-enylideneamino)-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-N-(2-methylhex-2-enylideneamino)pyridin-1-ium-3-carboxamide Traditional Name: 1-methyl-N-(2-methylhex-2-enylideneamino)pyridin-1-ium-3-carboxamide tosylate Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O.C7H8O3S/c1-4-5-7-12(2)10-15-16-14(18)13-8-6-9-17(3)11-13;1-6-2-4-7(5-3-6)11(8,9)10/h6-11H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)