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

Systemtic Name: ethyl 4-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H27N2O5+ MolecularWeight: 339.40668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5/c1-3-23-17(21)19-10-8-18(9-11-19)12-14(20)13-24-16-6-4-15(22-2)5-7-16/h4-7,14,20H,3,8-13H2,1-2H3/p+1/t14-/m1/s1