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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=C(C=C2)Cl)CCC)C(=O)NCC[NH+](C)C

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=C(C=C2)Cl)CCC)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C20H29ClN4O/c1-5-7-17-19(20(26)22-13-14-24(3)4)18(8-6-2)25(23-17)16-11-9-15(21)10-12-16/h9-12H,5-8,13-14H2,1-4H3,(H,22,26)/p+1