1-(2,6-dimethyl-3-nitro-1-oxidanidyl-pyridin-1-ium-4-yl)-1,4-diazepane dihydrochloride

Systemtic Name: 1-(2,6-dimethyl-3-nitro-1-oxidanidyl-pyridin-1-ium-4-yl)-1,4-diazepane dihydrochloride Openeye Name: 1-(2,6-dimethyl-3-nitro-1-oxido-pyridin-1-ium-4-yl)-1,4-diazepane dihydrochloride CAS Name: 1-(2,6-dimethyl-3-nitro-1-oxido-4-pyridin-1-iumyl)-1,4-diazepane dihydrochloride IUPAC Name: 1-(2,6-dimethyl-3-nitro-1-oxidopyridin-1-ium-4-yl)-1,4-diazepane dihydrochloride Traditional Name: 1-(2,6-dimethyl-3-nitro-1-oxido-pyridin-1-ium-4-yl)-1,4-diazepane dihydrochloride Formula: C12H20Cl2N4O3 MolecularWeight: 339.2182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C(=C1)N2CCCNCC2)[N+](=O)[O-])C)[O-].Cl.Cl

Isomeric SMILES

CC1=[N+](C(=C(C(=C1)N2CCCNCC2)[N+](=O)[O-])C)[O-].Cl.Cl

InChI

InChI=1S/C12H18N4O3.2ClH/c1-9-8-11(14-6-3-4-13-5-7-14)12(16(18)19)10(2)15(9)17;;/h8,13H,3-7H2,1-2H3;2*1H