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

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[(1S)-1-benzyl-2-oxo-propyl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[(1S)-1-benzyl-2-keto-propyl]acetamide Formula: C19H29N2O2+ MolecularWeight: 317.44576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C19H28N2O2/c1-16(22)18(14-17-10-6-5-7-11-17)20-19(23)15-21-12-8-3-2-4-9-13-21/h5-7,10-11,18H,2-4,8-9,12-15H2,1H3,(H,20,23)/p+1/t18-/m0/s1