ethyl (2R)-1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(5-bromo-2-hydroxy-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(5-bromo-2-hydroxyphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(5-bromo-2-hydroxyphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(5-bromo-2-hydroxy-benzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C15H21BrNO3+ MolecularWeight: 343.23614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=C(C=CC(=C2)Br)O

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C15H20BrNO3/c1-2-20-15(19)13-5-3-4-8-17(13)10-11-9-12(16)6-7-14(11)18/h6-7,9,13,18H,2-5,8,10H2,1H3/p+1/t13-/m1/s1