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

Systemtic Name: N-(cyclohexylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate Openeye Name: N-(cyclohexylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate CAS Name: N-(cyclohexylideneamino)-1-methyl-3-pyridin-1-iumcarboxamide; 4-methylbenzenesulfonate IUPAC Name: N-(cyclohexylideneamino)-1-methylpyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate Traditional Name: N-(cyclohexylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide tosylate Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)NN=C2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)NN=C2CCCCC2

InChI

InChI=1S/C13H17N3O.C7H8O3S/c1-16-9-5-6-11(10-16)13(17)15-14-12-7-3-2-4-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9-10H,2-4,7-8H2,1H3;2-5H,1H3,(H,8,9,10)