ethyl (2R)-1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(2-bromo-4,5-dimethoxy-benzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C17H25BrNO4+ MolecularWeight: 387.2887

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C17H24BrNO4/c1-4-23-17(20)14-7-5-6-8-19(14)11-12-9-15(21-2)16(22-3)10-13(12)18/h9-10,14H,4-8,11H2,1-3H3/p+1/t14-/m1/s1