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

Systemtic Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: 2-[(2S)-2-methyl-1-piperidin-1-iumyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C18H27N2O2+ MolecularWeight: 303.41918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC(CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O2/c1-14-8-6-7-11-20(14)13-18(22)19-17(15(2)21)12-16-9-4-3-5-10-16/h3-5,9-10,14,17H,6-8,11-13H2,1-2H3,(H,19,22)/p+1/t14-,17-/m0/s1