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

Systemtic Name: 2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyridin-3-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]-N-[2-(3-pyridyl)ethyl]acetamide CAS Name: 2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(3-pyridinyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]-N-(2-pyridin-3-ylethyl)acetamide Traditional Name: 2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]-N-[2-(3-pyridyl)ethyl]acetamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)NCCC2=CN=CC=C2

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@H]1CC(=O)NCCC2=CN=CC=C2

InChI

InChI=1S/C18H28N4O2/c1-14(2)6-10-22-11-9-21-18(24)16(22)12-17(23)20-8-5-15-4-3-7-19-13-15/h3-4,7,13-14,16H,5-6,8-12H2,1-2H3,(H,20,23)(H,21,24)/p+1/t16-/m1/s1