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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C18H26N2O2/c1-15(21)17(13-16-9-5-4-6-10-16)19-18(22)14-20-11-7-2-3-8-12-20/h4-6,9-10,17H,2-3,7-8,11-14H2,1H3,(H,19,22)/p+1/t17-/m0/s1