(2S)-6-(3-aminocarbonylpyridin-1-ium-1-yl)-2-azanyl-hexanoic acid bromide

Systemtic Name: (2S)-6-(3-aminocarbonylpyridin-1-ium-1-yl)-2-azanyl-hexanoic acid bromide Openeye Name: (2S)-2-amino-6-(3-carbamoylpyridin-1-ium-1-yl)hexanoic acid bromide CAS Name: (2S)-2-amino-6-(3-carbamoyl-1-pyridin-1-iumyl)hexanoic acid bromide IUPAC Name: (2S)-2-amino-6-(3-carbamoylpyridin-1-ium-1-yl)hexanoic acid bromide Traditional Name: (2S)-2-amino-6-(3-carbamoylpyridin-1-ium-1-yl)hexanoic acid bromide Formula: C12H18BrN3O3 MolecularWeight: 332.19362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCCC(C(=O)O)N)C(=O)N.[Br-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCC[C@@H](C(=O)O)N)C(=O)N.[Br-]

InChI

InChI=1S/C12H17N3O3.BrH/c13-10(12(17)18)5-1-2-6-15-7-3-4-9(8-15)11(14)16;/h3-4,7-8,10H,1-2,5-6,13H2,(H2-,14,16,17,18);1H/t10-;/m0./s1