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

Systemtic Name: ethyl 4-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H28N2O4/c1-2-27-22(26)24-14-12-23(13-15-24)16-20(25)17-28-21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-11,20,25H,2,12-17H2,1H3/p+1/t20-/m1/s1