ethyl (2R)-1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(3-bromo-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C16H23BrNO4+ MolecularWeight: 373.26212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrNO4/c1-3-22-16(20)13-6-4-5-7-18(13)10-11-8-12(17)15(19)14(9-11)21-2/h8-9,13,19H,3-7,10H2,1-2H3/p+1/t13-/m1/s1