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

Systemtic Name: ethyl 4-[(2R)-3-[2-(4-bromanylphenoxy)ethoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-[2-(4-bromophenoxy)ethoxy]-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-[2-(4-bromophenoxy)ethoxy]-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-[2-(4-bromophenoxy)ethoxy]-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28BrN2O5+ MolecularWeight: 432.32932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COCCOC2=CC=C(C=C2)Br)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COCCOC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C18H27BrN2O5/c1-2-25-18(23)21-9-7-20(8-10-21)13-16(22)14-24-11-12-26-17-5-3-15(19)4-6-17/h3-6,16,22H,2,7-14H2,1H3/p+1/t16-/m1/s1