ethyl 1-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H30NO4+ MolecularWeight: 384.4886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H29NO4/c1-2-27-23(26)20-12-14-24(15-13-20)16-21(25)17-28-22-10-8-19(9-11-22)18-6-4-3-5-7-18/h3-11,20-21,25H,2,12-17H2,1H3/p+1/t21-/m1/s1