ethyl 1-[[3-[(2R)-3-morpholin-4-yl-2-oxidanyl-propoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-[(2R)-3-morpholin-4-yl-2-oxidanyl-propoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-[(2R)-2-hydroxy-3-morpholino-propoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-[(2R)-2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-[(2R)-2-hydroxy-3-morpholino-propoxy]benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H35N2O5+ MolecularWeight: 407.5237

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OCC(CN3CCOCC3)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OC[C@@H](CN3CCOCC3)O

InChI

InChI=1S/C22H34N2O5/c1-2-28-22(26)19-6-8-23(9-7-19)15-18-4-3-5-21(14-18)29-17-20(25)16-24-10-12-27-13-11-24/h3-5,14,19-20,25H,2,6-13,15-17H2,1H3/p+1/t20-/m1/s1