2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)ethanamide

Systemtic Name: 2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide CAS Name: 2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-pyrazolyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide Traditional Name: 2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide Formula: C16H28N5O2+ MolecularWeight: 322.42582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)NCCN2C=CC=N2

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@H]1CC(=O)NCCN2C=CC=N2

InChI

InChI=1S/C16H27N5O2/c1-13(2)4-9-20-10-6-18-16(23)14(20)12-15(22)17-7-11-21-8-3-5-19-21/h3,5,8,13-14H,4,6-7,9-12H2,1-2H3,(H,17,22)(H,18,23)/p+1/t14-/m1/s1