(2S)-6-(4-aminocarbonylpyridazin-1-ium-1-yl)-2-azanyl-hexanoic acid bromide

Systemtic Name: (2S)-6-(4-aminocarbonylpyridazin-1-ium-1-yl)-2-azanyl-hexanoic acid bromide Openeye Name: (2S)-2-amino-6-(4-carbamoylpyridazin-1-ium-1-yl)hexanoic acid bromide CAS Name: (2S)-2-amino-6-(4-carbamoyl-1-pyridazin-1-iumyl)hexanoic acid bromide IUPAC Name: (2S)-2-amino-6-(4-carbamoylpyridazin-1-ium-1-yl)hexanoic acid bromide Traditional Name: (2S)-2-amino-6-(4-carbamoylpyridazin-1-ium-1-yl)hexanoic acid bromide Formula: C11H17BrN4O3 MolecularWeight: 333.18168

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=NC=C1C(=O)N)CCCCC(C(=O)O)N.[Br-]

Isomeric SMILES

C1=C[N+](=NC=C1C(=O)N)CCCC[C@@H](C(=O)O)N.[Br-]

InChI

InChI=1S/C11H16N4O3.BrH/c12-9(11(17)18)3-1-2-5-15-6-4-8(7-14-15)10(13)16;/h4,6-7,9H,1-3,5,12H2,(H2-,13,16,17,18);1H/t9-;/m0./s1