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

Systemtic Name: methyl 1-[(2S)-3-[3-(morpholin-4-ylmethyl)phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2S)-2-hydroxy-3-[3-(morpholinomethyl)phenoxy]propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-[3-(4-morpholinylmethyl)phenoxy]propyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-2-hydroxy-3-[3-(morpholin-4-ylmethyl)phenoxy]propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-3-[3-(morpholinomethyl)phenoxy]propyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H33N2O5+ MolecularWeight: 393.49712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC(=C2)CN3CCOCC3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)CN3CCOCC3)O

InChI

InChI=1S/C21H32N2O5/c1-26-21(25)18-5-7-22(8-6-18)15-19(24)16-28-20-4-2-3-17(13-20)14-23-9-11-27-12-10-23/h2-4,13,18-19,24H,5-12,14-16H2,1H3/p+1/t19-/m0/s1