2-[4-[4-(5-methylpyrazol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-(5-methylpyrazol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-(5-methyl-1-pyrazolyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H27N5O2/c1-17-8-9-22-26(17)19-6-4-18(5-7-19)21(28)25-14-12-23(13-15-25)16-20(27)24-10-2-3-11-24/h4-9H,2-3,10-16H2,1H3/p+1