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

Systemtic Name: 1-[(3-bromophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(3-bromophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-bromophenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(3-bromophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-bromobenzyl)piperidin-1-ium-4-carboxylate Formula: C13H16BrNO2 MolecularWeight: 298.17564

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=CC(=CC=C2)Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=CC(=CC=C2)Br

InChI

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