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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(COC2=CC=CC=C2Br)O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)C[C@H](COC2=CC=CC=C2Br)O

InChI

InChI=1S/C17H24BrNO4/c1-2-22-17(21)13-6-5-9-19(10-13)11-14(20)12-23-16-8-4-3-7-15(16)18/h3-4,7-8,13-14,20H,2,5-6,9-12H2,1H3/p+1/t13-,14+/m0/s1