2-[[1-(4-chlorophenyl)-5-ethyl-3-(2-methylpropyl)pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-(4-chlorophenyl)-5-ethyl-3-(2-methylpropyl)pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-(4-chlorophenyl)-5-ethyl-3-isobutyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-(4-chlorophenyl)-5-ethyl-3-(2-methylpropyl)-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-(4-chlorophenyl)-5-ethyl-3-(2-methylpropyl)pyrazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[1-(4-chlorophenyl)-5-ethyl-3-isobutyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H30ClN4O+ MolecularWeight: 377.9314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=C(C=C2)Cl)CC(C)C)C(=O)NCC[NH+](C)C

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=C(C=C2)Cl)CC(C)C)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C20H29ClN4O/c1-6-18-19(20(26)22-11-12-24(4)5)17(13-14(2)3)23-25(18)16-9-7-15(21)8-10-16/h7-10,14H,6,11-13H2,1-5H3,(H,22,26)/p+1