[2-[[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-(2-methylpropyl)azanium

Systemtic Name: [2-[[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-(2-methylpropyl)azanium Openeye Name: [2-[[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-isobutyl-ammonium CAS Name: [2-[[2-(3,4-dichlorophenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-(2-methylpropyl)ammonium IUPAC Name: [2-[[2-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-(2-methylpropyl)azanium Traditional Name: [2-[[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]-isobutyl-ammonium Formula: C21H23Cl2N4O+ MolecularWeight: 418.33952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC(=O)NC1=CC(=NN1C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[NH2+]CC(=O)NC1=CC(=NN1C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H22Cl2N4O/c1-14(2)12-24-13-21(28)25-20-11-19(15-6-4-3-5-7-15)26-27(20)16-8-9-17(22)18(23)10-16/h3-11,14,24H,12-13H2,1-2H3,(H,25,28)/p+1