N-[(E)-decan-2-ylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[(E)-decan-2-ylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-1-methylnonylideneamino]pyridin-1-ium-3-carboxamide CAS Name: N-[(E)-decan-2-ylideneamino]-1-methyl-3-pyridin-1-iumcarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[(E)-decan-2-ylideneamino]-1-methylpyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: 1-methyl-N-[(E)-1-methylnonylideneamino]pyridin-1-ium-3-carboxamide; tosylic acid Formula: C24H36N3O4S+ MolecularWeight: 462.62534

Click to see the large picture

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

CCCCCCCC/C(=N/NC(=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)/p+1/b18-15+;