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

Systemtic Name: ethyl 4-[(2R)-3-(4-acetamidophenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28N3O5+ MolecularWeight: 366.43202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5/c1-3-25-18(24)21-10-8-20(9-11-21)12-16(23)13-26-17-6-4-15(5-7-17)19-14(2)22/h4-7,16,23H,3,8-13H2,1-2H3,(H,19,22)/p+1/t16-/m1/s1