1-[3-[[3-(4-cyclopentylpiperazin-4-ium-1-yl)carbonyl-1H-pyrazol-5-yl]methoxy]phenyl]ethanone

Systemtic Name: 1-[3-[[3-(4-cyclopentylpiperazin-4-ium-1-yl)carbonyl-1H-pyrazol-5-yl]methoxy]phenyl]ethanone Openeye Name: 1-[3-[[3-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-1H-pyrazol-5-yl]methoxy]phenyl]ethanone CAS Name: 1-[3-[[3-[(4-cyclopentyl-1-piperazin-4-iumyl)-oxomethyl]-1H-pyrazol-5-yl]methoxy]phenyl]ethanone IUPAC Name: 1-[3-[[3-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-1H-pyrazol-5-yl]methoxy]phenyl]ethanone Traditional Name: 1-[3-[[3-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-1H-pyrazol-5-yl]methoxy]phenyl]ethanone Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC2=CC(=NN2)C(=O)N3CC[NH+](CC3)C4CCCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC2=CC(=NN2)C(=O)N3CC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C22H28N4O3/c1-16(27)17-5-4-8-20(13-17)29-15-18-14-21(24-23-18)22(28)26-11-9-25(10-12-26)19-6-2-3-7-19/h4-5,8,13-14,19H,2-3,6-7,9-12,15H2,1H3,(H,23,24)/p+1