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

Systemtic Name: ethyl 4-[(2R)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H22ClN2O3+ MolecularWeight: 313.79978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O3/c1-2-21-15(20)18-8-6-17(7-9-18)11-14(19)12-4-3-5-13(16)10-12/h3-5,10,14,19H,2,6-9,11H2,1H3/p+1/t14-/m0/s1