4-methylbenzenesulfonate; N-(1-methylpyridin-1-ium-2-yl)ethanamide

Systemtic Name: 4-methylbenzenesulfonate; N-(1-methylpyridin-1-ium-2-yl)ethanamide Openeye Name: 4-methylbenzenesulfonate; N-(1-methylpyridin-1-ium-2-yl)acetamide CAS Name: 4-methylbenzenesulfonate; N-(1-methyl-2-pyridin-1-iumyl)acetamide IUPAC Name: 4-methylbenzenesulfonate; N-(1-methylpyridin-1-ium-2-yl)acetamide Traditional Name: N-(1-methylpyridin-1-ium-2-yl)acetamide tosylate Formula: C15H18N2O4S MolecularWeight: 322.37942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)NC1=CC=CC=[N+]1C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)NC1=CC=CC=[N+]1C

InChI

InChI=1S/C8H10N2O.C7H8O3S/c1-7(11)9-8-5-3-4-6-10(8)2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)