(2R,5S)-5-[(4-bromophenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: (2R,5S)-5-[(4-bromophenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: (2R,5S)-5-[(4-bromophenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R,5S)-5-[(4-bromophenyl)methyl]-2-piperidin-1-iumcarboxylate IUPAC Name: (2R,5S)-5-[(4-bromophenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R,5S)-5-(4-bromobenzyl)piperidin-1-ium-2-carboxylate Formula: C13H16BrNO2 MolecularWeight: 298.17564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]CC1CC2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([NH2+]C[C@@H]1CC2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C13H16BrNO2/c14-11-4-1-9(2-5-11)7-10-3-6-12(13(16)17)15-8-10/h1-2,4-5,10,12,15H,3,6-8H2,(H,16,17)/t10-,12+/m0/s1