methyl 1-[2-oxidanylidene-2-[[2-(phenethylcarbamoyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[2-(phenethylcarbamoyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-[2-(phenethylcarbamoyl)anilino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[2-[oxo-(phenethylamino)methyl]anilino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[2-(phenethylcarbamoyl)anilino]ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[2-(phenethylcarbamoyl)anilino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C24H30N3O4+ MolecularWeight: 424.5127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4/c1-31-24(30)19-12-15-27(16-13-19)17-22(28)26-21-10-6-5-9-20(21)23(29)25-14-11-18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3,(H,25,29)(H,26,28)/p+1