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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)NCC[NH+](C)C)C(C)C)C2=CC=CC=C2Cl

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)NCC[NH+](C)C)C(C)C)C2=CC=CC=C2Cl

InChI

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