2-[4-[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[1-(3-chlorophenyl)-5-propan-2-yl-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C24H33ClN5O2+ MolecularWeight: 459.00412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C24H32ClN5O2/c1-18(2)23-21(16-26-30(23)20-8-6-7-19(25)15-20)24(32)29-13-11-27(12-14-29)17-22(31)28-9-4-3-5-10-28/h6-8,15-16,18H,3-5,9-14,17H2,1-2H3/p+1