4-(pyridin-1-ium-3-ylcarbonylamino)butanoic acid bromide

Systemtic Name: 4-(pyridin-1-ium-3-ylcarbonylamino)butanoic acid bromide Openeye Name: 4-(pyridin-1-ium-3-carbonylamino)butanoic acid bromide CAS Name: 4-[[oxo(3-pyridin-1-iumyl)methyl]amino]butanoic acid bromide IUPAC Name: 4-(pyridin-1-ium-3-carbonylamino)butanoic acid bromide Traditional Name: 4-(pyridin-1-ium-3-carbonylamino)butyric acid bromide Formula: C10H13BrN2O3 MolecularWeight: 289.12582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)C(=O)NCCCC(=O)O.[Br-]

Isomeric SMILES

C1=CC(=C[NH+]=C1)C(=O)NCCCC(=O)O.[Br-]

InChI

InChI=1S/C10H12N2O3.BrH/c13-9(14)4-2-6-12-10(15)8-3-1-5-11-7-8;/h1,3,5,7H,2,4,6H2,(H,12,15)(H,13,14);1H