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

Systemtic Name: 4-tert-butyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium chloride Openeye Name: 4-tert-butyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium chloride CAS Name: 4-tert-butyl-1-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]pyridin-1-ium chloride IUPAC Name: 4-tert-butyl-1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pyridin-1-ium chloride Traditional Name: 4-tert-butyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium chloride Formula: C15H21ClN4O2 MolecularWeight: 324.80584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N4O2.ClH/c1-12-16-11-14(19(20)21)18(12)10-9-17-7-5-13(6-8-17)15(2,3)4;/h5-8,11H,9-10H2,1-4H3;1H/q+1;/p-1