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

Systemtic Name: ethyl 4-[(2R)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-phenoxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-2-21-16(20)18-10-8-17(9-11-18)12-14(19)13-22-15-6-4-3-5-7-15/h3-7,14,19H,2,8-13H2,1H3/p+1/t14-/m1/s1