2-(3-methyl-2H-imidazol-1-yl)-1-(3-methylphenyl)ethanone phosphate

Systemtic Name: 2-(3-methyl-2H-imidazol-1-yl)-1-(3-methylphenyl)ethanone phosphate Openeye Name: 2-(3-methyl-2H-imidazol-1-yl)-1-(m-tolyl)ethanone phosphate CAS Name: 2-(3-methyl-2H-imidazol-1-yl)-1-(3-methylphenyl)ethanone phosphate IUPAC Name: 2-(3-methyl-2H-imidazol-1-yl)-1-(3-methylphenyl)ethanone phosphate Traditional Name: 2-(3-methyl-4-imidazolin-1-yl)-1-(m-tolyl)ethanone phosphate Formula: C13H16N2O5P-3 MolecularWeight: 311.250301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)CN2CN(C=C2)C.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)CN2CN(C=C2)C.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C13H16N2O.H3O4P/c1-11-4-3-5-12(8-11)13(16)9-15-7-6-14(2)10-15;1-5(2,3)4/h3-8H,9-10H2,1-2H3;(H3,1,2,3,4)/p-3