methyl 1-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H24N2O3/c1-13(14-6-4-3-5-7-14)18-16(20)12-19-10-8-15(9-11-19)17(21)22-2/h3-7,13,15H,8-12H2,1-2H3,(H,18,20)/p+1/t13-/m1/s1