1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium chloride

Systemtic Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium chloride Openeye Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium chloride CAS Name: 1-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]pyridin-1-ium chloride IUPAC Name: 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pyridin-1-ium chloride Traditional Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium chloride Formula: C11H13ClN4O2 MolecularWeight: 268.69952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC[N+]2=CC=CC=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1=NC=C(N1CC[N+]2=CC=CC=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C11H13N4O2.ClH/c1-10-12-9-11(15(16)17)14(10)8-7-13-5-3-2-4-6-13;/h2-6,9H,7-8H2,1H3;1H/q+1;/p-1