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

Systemtic Name: 2-[[5-ethyl-1-(3-methylphenyl)-3-(2-methylpropyl)pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-ethyl-3-isobutyl-1-(m-tolyl)pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-ethyl-1-(3-methylphenyl)-3-(2-methylpropyl)-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-ethyl-1-(3-methylphenyl)-3-(2-methylpropyl)pyrazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-ethyl-3-isobutyl-1-(m-tolyl)pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O/c1-7-19-20(21(26)22-11-12-24(5)6)18(13-15(2)3)23-25(19)17-10-8-9-16(4)14-17/h8-10,14-15H,7,11-13H2,1-6H3,(H,22,26)/p+1