[2-[2-(4-chlorophenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-(2-methylpropyl)azanium

Systemtic Name: [2-[2-(4-chlorophenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-(2-methylpropyl)azanium Openeye Name: [2-[2-(4-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxo-ethyl]-isobutyl-ammonium CAS Name: [2-[2-(4-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]-(2-methylpropyl)ammonium IUPAC Name: [2-[2-(4-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]-(2-methylpropyl)azanium Traditional Name: [2-[1-(4-chlorophenyl)-5-keto-3-phenyl-3-pyrazolin-4-yl]-2-keto-ethyl]-isobutyl-ammonium Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[NH2+]CC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O2/c1-14(2)12-23-13-18(26)19-20(15-6-4-3-5-7-15)24-25(21(19)27)17-10-8-16(22)9-11-17/h3-11,14,23-24H,12-13H2,1-2H3/p+1