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

Systemtic Name: ethyl 1-[(2R)-3-[2,4-bis(bromanyl)phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-3-(2,4-dibromophenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-3-(2,4-dibromophenoxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-3-(2,4-dibromophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-3-(2,4-dibromophenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H24Br2NO4+ MolecularWeight: 466.18476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(COC2=C(C=C(C=C2)Br)Br)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@H](COC2=C(C=C(C=C2)Br)Br)O

InChI

InChI=1S/C17H23Br2NO4/c1-2-23-17(22)12-5-7-20(8-6-12)10-14(21)11-24-16-4-3-13(18)9-15(16)19/h3-4,9,12,14,21H,2,5-8,10-11H2,1H3/p+1/t14-/m1/s1