2-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azaniumyl]methyl]phenolate

Systemtic Name: 2-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azaniumyl]methyl]phenolate Openeye Name: 2-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)ammonio]methyl]phenolate CAS Name: 2-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)ammonio]methyl]phenolate IUPAC Name: 2-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azaniumyl]methyl]phenolate Traditional Name: 2-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)ammonio]methyl]phenolate Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[NH2+]CC3=CC=CC=C3[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[NH2+]CC3=CC=CC=C3[O-]

InChI

InChI=1S/C18H19N3O2/c1-13-17(19-12-14-8-6-7-11-16(14)22)18(23)21(20(13)2)15-9-4-3-5-10-15/h3-11,19,22H,12H2,1-2H3