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

Systemtic Name: ethyl 4-[(2R)-3-(4-methoxycarbonylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-(4-methoxycarbonylphenoxy)propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-(4-methoxycarbonylphenoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(4-methoxycarbonylphenoxy)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-(4-carbomethoxyphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H27N2O6+ MolecularWeight: 367.41678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O6/c1-3-25-18(23)20-10-8-19(9-11-20)12-15(21)13-26-16-6-4-14(5-7-16)17(22)24-2/h4-7,15,21H,3,8-13H2,1-2H3/p+1/t15-/m1/s1