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

Systemtic Name: ethyl 4-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H27N2O4+ MolecularWeight: 323.40728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4/c1-3-22-17(21)19-9-7-18(8-10-19)12-15(20)13-23-16-6-4-5-14(2)11-16/h4-6,11,15,20H,3,7-10,12-13H2,1-2H3/p+1/t15-/m1/s1