(2S)-2-azanyl-4-pyridin-1-ium-1-yl-butanoic acid bromide

Systemtic Name: (2S)-2-azanyl-4-pyridin-1-ium-1-yl-butanoic acid bromide Openeye Name: (2S)-2-amino-4-pyridin-1-ium-1-yl-butanoic acid bromide CAS Name: (2S)-2-amino-4-(1-pyridin-1-iumyl)butanoic acid bromide IUPAC Name: (2S)-2-amino-4-pyridin-1-ium-1-ylbutanoic acid bromide Traditional Name: (2S)-2-amino-4-pyridin-1-ium-1-yl-butyric acid bromide Formula: C9H13BrN2O2 MolecularWeight: 261.11572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O2.BrH/c10-8(9(12)13)4-7-11-5-2-1-3-6-11;/h1-3,5-6,8H,4,7,10H2;1H/t8-;/m0./s1