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

Systemtic Name: ethyl (3R)-1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(5-bromo-2,4-dimethoxy-benzyl)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)CC2=CC(=C(C=C2OC)OC)Br

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC(=C(C=C2OC)OC)Br

InChI

InChI=1S/C17H24BrNO4/c1-4-23-17(20)12-6-5-7-19(10-12)11-13-8-14(18)16(22-3)9-15(13)21-2/h8-9,12H,4-7,10-11H2,1-3H3/p+1/t12-/m1/s1