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

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[(4-methoxyphenyl)-phosphono-methyl]azanium chloride Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-[(4-methoxyphenyl)-phosphono-methyl]ammonium chloride CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-[(4-methoxyphenyl)-phosphonomethyl]ammonium chloride IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[(4-methoxyphenyl)-phosphonomethyl]azanium chloride Traditional Name: (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-[(4-methoxyphenyl)-phosphono-methyl]ammonium chloride Formula: C19H23ClN3O5P MolecularWeight: 439.829781

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C19H22N3O5P.ClH/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);1H