1-[3-(2-nitroimidazol-1-yl)propyl]pyridin-1-ium bromide

Systemtic Name: 1-[3-(2-nitroimidazol-1-yl)propyl]pyridin-1-ium bromide Openeye Name: 1-[3-(2-nitroimidazol-1-yl)propyl]pyridin-1-ium bromide CAS Name: 1-[3-(2-nitro-1-imidazolyl)propyl]pyridin-1-ium bromide IUPAC Name: 1-[3-(2-nitroimidazol-1-yl)propyl]pyridin-1-ium bromide Traditional Name: 1-[3-(2-nitroimidazol-1-yl)propyl]pyridin-1-ium bromide Formula: C11H13BrN4O2 MolecularWeight: 313.15052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCN2C=CN=C2[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCCN2C=CN=C2[N+](=O)[O-].[Br-]

InChI

InChI=1S/C11H13N4O2.BrH/c16-15(17)11-12-5-10-14(11)9-4-8-13-6-2-1-3-7-13;/h1-3,5-7,10H,4,8-9H2;1H/q+1;/p-1