ethyl (3R)-1-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-(3-acetylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-(3-acetylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-(3-acetylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-(3-acetylanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H25N2O4+ MolecularWeight: 333.4021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC(=O)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C18H24N2O4/c1-3-24-18(23)15-7-5-9-20(11-15)12-17(22)19-16-8-4-6-14(10-16)13(2)21/h4,6,8,10,15H,3,5,7,9,11-12H2,1-2H3,(H,19,22)/p+1/t15-/m1/s1