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

Systemtic Name: ethyl 4-[(2R)-3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-(4-chlorobenzyl)oxy-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H26ClN2O4+ MolecularWeight: 357.85234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O4/c1-2-24-17(22)20-9-7-19(8-10-20)11-16(21)13-23-12-14-3-5-15(18)6-4-14/h3-6,16,21H,2,7-13H2,1H3/p+1/t16-/m1/s1