methyl 1-[(2S)-3-[3-(1,2-oxazolidin-2-ylmethyl)phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2S)-3-[3-(1,2-oxazolidin-2-ylmethyl)phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2S)-2-hydroxy-3-[3-(isoxazolidin-2-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-[3-(2-isoxazolidinylmethyl)phenoxy]propyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-2-hydroxy-3-[3-(1,2-oxazolidin-2-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-3-[3-(isoxazolidin-2-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H31N2O5+ MolecularWeight: 379.47054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC(=C2)CN3CCCO3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)CN3CCCO3)O

InChI

InChI=1S/C20H30N2O5/c1-25-20(24)17-6-9-21(10-7-17)14-18(23)15-26-19-5-2-4-16(12-19)13-22-8-3-11-27-22/h2,4-5,12,17-18,23H,3,6-11,13-15H2,1H3/p+1/t18-/m0/s1