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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC(=CC=C2)Cl)C(C)C)C(=O)NCC[NH+](C)C

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC(=CC=C2)Cl)C(C)C)C(=O)NCC[NH+](C)C

InChI

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