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

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[phenyl(phosphono)methyl]azanium chloride Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-[phenyl(phosphono)methyl]ammonium chloride CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-[phenyl(phosphono)methyl]ammonium chloride IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[phenyl(phosphono)methyl]azanium chloride Traditional Name: (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-[phenyl(phosphono)methyl]ammonium chloride Formula: C18H21ClN3O4P MolecularWeight: 409.803801

Click to see the large picture

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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C18H20N3O4P.ClH/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);1H