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

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-N-(octylideneamino)pyridin-1-ium-3-carboxamide Openeye Name: 4-methylbenzenesulfonate; 1-methyl-N-(octylideneamino)pyridin-1-ium-3-carboxamide CAS Name: 4-methylbenzenesulfonate; 1-methyl-N-(octylideneamino)-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-N-(octylideneamino)pyridin-1-ium-3-carboxamide Traditional Name: 1-methyl-N-(octylideneamino)pyridin-1-ium-3-carboxamide tosylate Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O.C7H8O3S/c1-3-4-5-6-7-8-11-16-17-15(19)14-10-9-12-18(2)13-14;1-6-2-4-7(5-3-6)11(8,9)10/h9-13H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)