(2S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-2-azanyl-pentanoic acid bromide

Systemtic Name: (2S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-2-azanyl-pentanoic acid bromide Openeye Name: (2S)-2-amino-5-(3-carbamoylpyridin-1-ium-1-yl)pentanoic acid bromide CAS Name: (2S)-2-amino-5-(3-carbamoyl-1-pyridin-1-iumyl)pentanoic acid bromide IUPAC Name: (2S)-2-amino-5-(3-carbamoylpyridin-1-ium-1-yl)pentanoic acid bromide Traditional Name: (2S)-2-amino-5-(3-carbamoylpyridin-1-ium-1-yl)valeric acid bromide Formula: C11H16BrN3O3 MolecularWeight: 318.16704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O3.BrH/c12-9(11(16)17)4-2-6-14-5-1-3-8(7-14)10(13)15;/h1,3,5,7,9H,2,4,6,12H2,(H2-,13,15,16,17);1H/t9-;/m0./s1