ethyl 4-[(2S)-3-[2,4-bis(bromanyl)phenoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-3-[2,4-bis(bromanyl)phenoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2S)-3-(2,4-dibromophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2S)-3-(2,4-dibromophenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-(2,4-dibromophenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2S)-3-(2,4-dibromophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H23Br2N2O4+ MolecularWeight: 467.17282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22Br2N2O4/c1-2-23-16(22)20-7-5-19(6-8-20)10-13(21)11-24-15-4-3-12(17)9-14(15)18/h3-4,9,13,21H,2,5-8,10-11H2,1H3/p+1/t13-/m0/s1