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

Systemtic Name: ethyl 1-[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H25BrNO4+ MolecularWeight: 387.2887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrNO4/c1-2-22-17(21)13-7-9-19(10-8-13)11-15(20)12-23-16-5-3-14(18)4-6-16/h3-6,13,15,20H,2,7-12H2,1H3/p+1/t15-/m1/s1