ethyl (3R)-1-[(4-bromophenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(4-bromophenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(4-bromophenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(4-bromophenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(4-bromophenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(4-bromobenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H21BrNO2+ MolecularWeight: 327.23674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H20BrNO2/c1-2-19-15(18)13-4-3-9-17(11-13)10-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3/p+1/t13-/m1/s1