(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[(R)-(4-methoxyphenyl)-phosphonato-methyl]azanium

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[(R)-(4-methoxyphenyl)-phosphonato-methyl]azanium Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-[(R)-(4-methoxyphenyl)-phosphonato-methyl]ammonium CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-[(R)-(4-methoxyphenyl)-phosphonatomethyl]ammonium IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[(R)-(4-methoxyphenyl)-phosphonatomethyl]azanium Traditional Name: (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-[(R)-(4-methoxyphenyl)-phosphonato-methyl]ammonium Formula: C19H21N3O5P- MolecularWeight: 402.360901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[NH2+]C(C3=CC=C(C=C3)OC)P(=O)([O-])[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[NH2+][C@@H](C3=CC=C(C=C3)OC)P(=O)([O-])[O-]

InChI

InChI=1S/C19H22N3O5P/c1-13-17(19(23)22(21(13)2)15-7-5-4-6-8-15)20-18(28(24,25)26)14-9-11-16(27-3)12-10-14/h4-12,18,20H,1-3H3,(H2,24,25,26)/p-1/t18-/m1/s1