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

Systemtic Name: (2S)-2-azanyl-5-pyridazin-1-ium-1-yl-pentanoic acid bromide Openeye Name: (2S)-2-amino-5-pyridazin-1-ium-1-yl-pentanoic acid bromide CAS Name: (2S)-2-amino-5-(1-pyridazin-1-iumyl)pentanoic acid bromide IUPAC Name: (2S)-2-amino-5-pyridazin-1-ium-1-ylpentanoic acid bromide Traditional Name: (2S)-2-amino-5-pyridazin-1-ium-1-yl-valeric acid bromide Formula: C9H14BrN3O2 MolecularWeight: 276.13036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O2.BrH/c10-8(9(13)14)4-3-7-12-6-2-1-5-11-12;/h1-2,5-6,8H,3-4,7,10H2;1H/t8-;/m0./s1