2-[(2R)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamide

Systemtic Name: 2-[(2R)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamide Openeye Name: 2-[(2R)-1-cyclopentyl-3-oxo-piperazin-1-ium-2-yl]-N-[[1-(o-tolyl)pyrazol-4-yl]methyl]acetamide CAS Name: 2-[(2R)-1-cyclopentyl-3-oxo-2-piperazin-1-iumyl]-N-[[1-(2-methylphenyl)-4-pyrazolyl]methyl]acetamide IUPAC Name: 2-[(2R)-1-cyclopentyl-3-oxopiperazin-1-ium-2-yl]-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide Traditional Name: 2-[(2R)-1-cyclopentyl-3-keto-piperazin-1-ium-2-yl]-N-[[1-(o-tolyl)pyrazol-4-yl]methyl]acetamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C=N2)CNC(=O)CC3C(=O)NCC[NH+]3C4CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C=N2)CNC(=O)C[C@@H]3C(=O)NCC[NH+]3C4CCCC4

InChI

InChI=1S/C22H29N5O2/c1-16-6-2-5-9-19(16)27-15-17(14-25-27)13-24-21(28)12-20-22(29)23-10-11-26(20)18-7-3-4-8-18/h2,5-6,9,14-15,18,20H,3-4,7-8,10-13H2,1H3,(H,23,29)(H,24,28)/p+1/t20-/m1/s1