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

Systemtic Name: 2-[[5-ethyl-3-(2-methylpropyl)-1-phenyl-pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-ethyl-3-isobutyl-1-phenyl-pyrazole-4-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-ethyl-3-(2-methylpropyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-ethyl-3-(2-methylpropyl)-1-phenylpyrazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(5-ethyl-3-isobutyl-1-phenyl-pyrazole-4-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C20H31N4O+ MolecularWeight: 343.48634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O/c1-6-18-19(20(25)21-12-13-23(4)5)17(14-15(2)3)22-24(18)16-10-8-7-9-11-16/h7-11,15H,6,12-14H2,1-5H3,(H,21,25)/p+1