methanesulfonate; [4-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)phenyl]-phenyl-methanone

Systemtic Name: methanesulfonate; [4-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)phenyl]-phenyl-methanone Openeye Name: methanesulfonate; [4-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)phenyl]-phenyl-methanone CAS Name: methanesulfonate; [4-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)phenyl]-phenylmethanone IUPAC Name: methanesulfonate; [4-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)phenyl]-phenylmethanone Traditional Name: [4-(3-methyl-2-imidazolin-3-ium-1-yl)phenyl]-phenyl-methanone mesylate Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(CC1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CN(CC1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H17N2O.CH4O3S/c1-18-11-12-19(13-18)16-9-7-15(8-10-16)17(20)14-5-3-2-4-6-14;1-5(2,3)4/h2-10,13H,11-12H2,1H3;1H3,(H,2,3,4)/q+1;/p-1