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

Systemtic Name: 2-[(2R)-1-(2-methylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyridin-3-yloxyethyl)ethanamide Openeye Name: 2-[(2R)-1-isobutyl-3-oxo-piperazin-1-ium-2-yl]-N-[2-(3-pyridyloxy)ethyl]acetamide CAS Name: 2-[(2R)-1-(2-methylpropyl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(3-pyridinyloxy)ethyl]acetamide IUPAC Name: 2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-1-ium-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide Traditional Name: 2-[(2R)-1-isobutyl-3-keto-piperazin-1-ium-2-yl]-N-[2-(3-pyridyloxy)ethyl]acetamide Formula: C17H27N4O3+ MolecularWeight: 335.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCNC(=O)C1CC(=O)NCCOC2=CN=CC=C2

Isomeric SMILES

CC(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)NCCOC2=CN=CC=C2

InChI

InChI=1S/C17H26N4O3/c1-13(2)12-21-8-6-20-17(23)15(21)10-16(22)19-7-9-24-14-4-3-5-18-11-14/h3-5,11,13,15H,6-10,12H2,1-2H3,(H,19,22)(H,20,23)/p+1/t15-/m1/s1