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

Systemtic Name: (3S)-1-[(4-bromophenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4-bromophenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(4-bromophenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4-bromophenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(4-bromobenzyl)piperidin-1-ium-3-carboxamide Formula: C13H18BrN2O+ MolecularWeight: 298.19882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)Br)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)Br)C(=O)N

InChI

InChI=1S/C13H17BrN2O/c14-12-5-3-10(4-6-12)8-16-7-1-2-11(9-16)13(15)17/h3-6,11H,1-2,7-9H2,(H2,15,17)/p+1/t11-/m0/s1