N-(2,2-dimethyl-3-oxidanyl-propyl)-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2,2-dimethyl-3-oxidanyl-propyl)-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-hydroxy-2,2-dimethyl-propyl)-2-[(2R)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-(3-hydroxy-2,2-dimethylpropyl)-2-[(2R)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-hydroxy-2,2-dimethylpropyl)-2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-hydroxy-2,2-dimethyl-propyl)-2-[(2R)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C17H27N4O3+ MolecularWeight: 335.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CC1C(=O)NCC[NH+]1CC2=CN=CC=C2)CO

Isomeric SMILES

CC(C)(CNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CN=CC=C2)CO

InChI

InChI=1S/C17H26N4O3/c1-17(2,12-22)11-20-15(23)8-14-16(24)19-6-7-21(14)10-13-4-3-5-18-9-13/h3-5,9,14,22H,6-8,10-12H2,1-2H3,(H,19,24)(H,20,23)/p+1/t14-/m1/s1