N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CCCCC2

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C17H24N2O2/c1-14(20)16(12-15-8-4-2-5-9-15)18-17(21)13-19-10-6-3-7-11-19/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3,(H,18,21)/p+1/t16-/m0/s1