2-[[2-(3-chlorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(3-chlorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(3-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(3-chlorophenyl)-5-(3-methoxyphenyl)-3-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(3-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(3-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C21H24ClN4O2+ MolecularWeight: 399.89386

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H23ClN4O2/c1-25(2)11-10-23-21(27)20-14-19(15-6-4-9-18(12-15)28-3)24-26(20)17-8-5-7-16(22)13-17/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)/p+1