[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: [3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-keto-2-(propylamino)ethyl]-methyl-ammonium Formula: C22H26ClN4O+ MolecularWeight: 397.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C[NH+](C)CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN4O/c1-3-13-24-21(28)16-26(2)14-18-15-27(20-7-5-4-6-8-20)25-22(18)17-9-11-19(23)12-10-17/h4-12,15H,3,13-14,16H2,1-2H3,(H,24,28)/p+1