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

Systemtic Name: ethyl 4-[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H24BrN2O4+ MolecularWeight: 388.27676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2O4/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/p+1/t14-/m1/s1