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

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[(S)-phenyl(phosphonato)methyl]azanium Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-[(S)-phenyl(phosphonato)methyl]ammonium CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-[(S)-phenyl(phosphonato)methyl]ammonium IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[(S)-phenyl(phosphonato)methyl]azanium Traditional Name: (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-[(S)-phenyl(phosphonato)methyl]ammonium Formula: C18H19N3O4P- MolecularWeight: 372.334921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N3O4P/c1-13-16(18(22)21(20(13)2)15-11-7-4-8-12-15)19-17(26(23,24)25)14-9-5-3-6-10-14/h3-12,17,19H,1-2H3,(H2,23,24,25)/p-1/t17-/m0/s1