2-[4-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H26ClFN5O2+ MolecularWeight: 434.914843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H25ClFN5O2/c1-15-19(20(22)28(24-15)17-6-4-16(23)5-7-17)21(30)27-12-10-25(11-13-27)14-18(29)26-8-2-3-9-26/h4-7H,2-3,8-14H2,1H3/p+1