4-azanyl-1,5-dimethyl-2-phenyl-1H-pyrazol-1-ium-3-one; dihydrogen phosphate

Systemtic Name: 4-azanyl-1,5-dimethyl-2-phenyl-1H-pyrazol-1-ium-3-one; dihydrogen phosphate Openeye Name: 4-amino-1,5-dimethyl-2-phenyl-1H-pyrazol-1-ium-3-one; dihydrogen phosphate CAS Name: 4-amino-1,5-dimethyl-2-phenyl-1H-pyrazol-1-ium-3-one; dihydrogen phosphate IUPAC Name: 4-amino-1,5-dimethyl-2-phenyl-1H-pyrazol-1-ium-3-one; dihydrogen phosphate Traditional Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolin-1-ium-3-one; dihydrogen phosphate Formula: C11H16N3O5P MolecularWeight: 301.235601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N([NH+]1C)C2=CC=CC=C2)N.OP(=O)(O)[O-]

Isomeric SMILES

CC1=C(C(=O)N([NH+]1C)C2=CC=CC=C2)N.OP(=O)(O)[O-]

InChI

InChI=1S/C11H13N3O.H3O4P/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;1-5(2,3)4/h3-7H,12H2,1-2H3;(H3,1,2,3,4)