N-(2-hydroxyethyl)-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-(2-hydroxyethyl)-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-(2-hydroxyethyl)-2-[(2R)-1-isopropyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(2-hydroxyethyl)-2-[(2R)-3-oxo-1-propan-2-yl-2-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(2-hydroxyethyl)-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-1-ium-2-yl]acetamide Traditional Name: N-benzyl-N-(2-hydroxyethyl)-2-[(2R)-1-isopropyl-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)N(CCO)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N(CCO)CC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O3/c1-14(2)21-9-8-19-18(24)16(21)12-17(23)20(10-11-22)13-15-6-4-3-5-7-15/h3-7,14,16,22H,8-13H2,1-2H3,(H,19,24)/p+1/t16-/m1/s1