ethyl 4-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride

Systemtic Name: ethyl 4-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C16H24ClFN2O4 MolecularWeight: 362.824163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23FN2O4.ClH/c1-2-22-16(21)19-9-7-18(8-10-19)11-14(20)12-23-15-5-3-13(17)4-6-15;/h3-6,14,20H,2,7-12H2,1H3;1H