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

Systemtic Name: 1-(3-methoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone phosphate Openeye Name: 1-(3-methoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone phosphate CAS Name: 1-(3-methoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone phosphate IUPAC Name: 1-(3-methoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone phosphate Traditional Name: 1-(3-methoxyphenyl)-2-(3-methyl-4-imidazolin-1-yl)ethanone phosphate Formula: C13H16N2O6P-3 MolecularWeight: 327.249701

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C=C1)CC(=O)C2=CC(=CC=C2)OC.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CN1CN(C=C1)CC(=O)C2=CC(=CC=C2)OC.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C13H16N2O2.H3O4P/c1-14-6-7-15(10-14)9-13(16)11-4-3-5-12(8-11)17-2;1-5(2,3)4/h3-8H,9-10H2,1-2H3;(H3,1,2,3,4)/p-3