methanesulfonate; 1-[4-(3-methyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl)phenyl]ethanone

Systemtic Name: methanesulfonate; 1-[4-(3-methyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl)phenyl]ethanone Openeye Name: methanesulfonate; 1-[4-(3-methyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl)phenyl]ethanone CAS Name: methanesulfonate; 1-[4-(3-methyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl)phenyl]ethanone IUPAC Name: methanesulfonate; 1-[4-(3-methyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl)phenyl]ethanone Traditional Name: 1-[4-(3-methyl-2-imidazoline-1,3-diium-1-yl)phenyl]ethanone mesylate Formula: C13H19N2O4S+ MolecularWeight: 299.36596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)[NH+]2CC[N+](=C2)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)[NH+]2CC[N+](=C2)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C12H15N2O.CH4O3S/c1-10(15)11-3-5-12(6-4-11)14-8-7-13(2)9-14;1-5(2,3)4/h3-6,9H,7-8H2,1-2H3;1H3,(H,2,3,4)/q+1;