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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-pentylideneamino]pyridin-1-ium-3-carboxamide Openeye Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-pentylideneamino]pyridin-1-ium-3-carboxamide CAS Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-pentylideneamino]-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonic acid; 1-methyl-N-[(E)-pentylideneamino]pyridin-1-ium-3-carboxamide Traditional Name: 1-methyl-N-[(E)-pentylideneamino]pyridin-1-ium-3-carboxamide; tosylic acid Formula: C19H26N3O4S+ MolecularWeight: 392.49244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC/C=N/NC(=O)C1=C[N+](=CC=C1)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H17N3O.C7H8O3S/c1-3-4-5-8-13-14-12(16)11-7-6-9-15(2)10-11;1-6-2-4-7(5-3-6)11(8,9)10/h6-10H,3-5H2,1-2H3;2-5H,1H3,(H,8,9,10)/p+1/b13-8+;