1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C12H14ClN5O3 MolecularWeight: 311.72426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O3.ClH/c1-9-14-7-11(17(19)20)16(9)6-5-15-4-2-3-10(8-15)12(13)18;/h2-4,7-8H,5-6H2,1H3,(H-,13,18);1H