methanesulfonate; (1-methylpyridin-1-ium-4-yl)-phenyl-methanone

Systemtic Name: methanesulfonate; (1-methylpyridin-1-ium-4-yl)-phenyl-methanone Openeye Name: methanesulfonate; (1-methylpyridin-1-ium-4-yl)-phenyl-methanone CAS Name: methanesulfonate; (1-methyl-4-pyridin-1-iumyl)-phenylmethanone IUPAC Name: methanesulfonate; (1-methylpyridin-1-ium-4-yl)-phenylmethanone Traditional Name: (1-methylpyridin-1-ium-4-yl)-phenyl-methanone mesylate Formula: C14H15NO4S MolecularWeight: 293.3382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)C2=CC=CC=C2.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)C2=CC=CC=C2.CS(=O)(=O)[O-]

InChI

InChI=1S/C13H12NO.CH4O3S/c1-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11;1-5(2,3)4/h2-10H,1H3;1H3,(H,2,3,4)/q+1;/p-1