ethyl 4-[(2R)-3-(4-chloranyl-3,5-dimethyl-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-3-(4-chloranyl-3,5-dimethyl-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28ClN2O4+ MolecularWeight: 371.87892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O4/c1-4-24-18(23)21-7-5-20(6-8-21)11-15(22)12-25-16-9-13(2)17(19)14(3)10-16/h9-10,15,22H,4-8,11-12H2,1-3H3/p+1/t15-/m1/s1