N-[(3-methyl-2-nitro-imidazol-4-yl)methylideneamino]-2-pyridin-1-ium-1-yl-ethanamide chloride

Systemtic Name: N-[(3-methyl-2-nitro-imidazol-4-yl)methylideneamino]-2-pyridin-1-ium-1-yl-ethanamide chloride Openeye Name: N-[(3-methyl-2-nitro-imidazol-4-yl)methyleneamino]-2-pyridin-1-ium-1-yl-acetamide chloride CAS Name: N-[(3-methyl-2-nitro-4-imidazolyl)methylideneamino]-2-(1-pyridin-1-iumyl)acetamide chloride IUPAC Name: N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride Traditional Name: N-[(3-methyl-2-nitro-imidazol-4-yl)methyleneamino]-2-pyridin-1-ium-1-yl-acetamide chloride Formula: C12H13ClN6O3 MolecularWeight: 324.72302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1[N+](=O)[O-])C=NNC(=O)C[N+]2=CC=CC=C2.[Cl-]

Isomeric SMILES

CN1C(=CN=C1[N+](=O)[O-])C=NNC(=O)C[N+]2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C12H12N6O3.ClH/c1-16-10(7-13-12(16)18(20)21)8-14-15-11(19)9-17-5-3-2-4-6-17;/h2-8H,9H2,1H3;1H