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

Systemtic Name: N-(heptylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate Openeye Name: N-(heptylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate CAS Name: N-(heptylideneamino)-1-methyl-3-pyridin-1-iumcarboxamide; 4-methylbenzenesulfonate IUPAC Name: N-(heptylideneamino)-1-methylpyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate Traditional Name: N-(heptylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide tosylate Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O.C7H8O3S/c1-3-4-5-6-7-10-15-16-14(18)13-9-8-11-17(2)12-13;1-6-2-4-7(5-3-6)11(8,9)10/h8-12H,3-7H2,1-2H3;2-5H,1H3,(H,8,9,10)