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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-17-19(15-22-26(17)18-7-3-2-4-8-18)21(28)25-13-11-23(12-14-25)16-20(27)24-9-5-6-10-24/h2-4,7-8,15H,5-6,9-14,16H2,1H3/p+1