ethyl (3R)-1-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H26N3O4+ MolecularWeight: 348.41674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C2=CC=CC=C2)C(=O)NC(=O)NC

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)[C@@H](C2=CC=CC=C2)C(=O)NC(=O)NC

InChI

InChI=1S/C18H25N3O4/c1-3-25-17(23)14-10-7-11-21(12-14)15(13-8-5-4-6-9-13)16(22)20-18(24)19-2/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3,(H2,19,20,22,24)/p+1/t14-,15+/m1/s1