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

Systemtic Name: ethyl 4-[(2R)-2-oxidanyl-3-phenylmethoxy-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-benzyloxy-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-benzoxy-2-hydroxy-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(COCC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COCC2=CC=CC=C2)O

InChI

InChI=1S/C17H26N2O4/c1-2-23-17(21)19-10-8-18(9-11-19)12-16(20)14-22-13-15-6-4-3-5-7-15/h3-7,16,20H,2,8-14H2,1H3/p+1/t16-/m1/s1