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

Systemtic Name: 2-[[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[1-(3-chlorophenyl)-5-propan-2-yl-4-pyrazolyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium Formula: C21H32ClN4O+ MolecularWeight: 391.95798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN4O/c1-14(2)20-19(13-24-26(20)18-9-7-8-17(22)12-18)21(27)23-10-11-25(15(3)4)16(5)6/h7-9,12-16H,10-11H2,1-6H3,(H,23,27)/p+1