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

Systemtic Name: 1-(2,6-dimethyl-3-nitro-pyridin-4-yl)-1-oxidanidyl-1,2-diazepan-1-ium dihydrochloride Openeye Name: 1-(2,6-dimethyl-3-nitro-4-pyridyl)-1-oxido-diazepan-1-ium dihydrochloride CAS Name: 1-(2,6-dimethyl-3-nitro-4-pyridinyl)-1-oxidodiazepan-1-ium dihydrochloride IUPAC Name: 1-(2,6-dimethyl-3-nitropyridin-4-yl)-1-oxidodiazepan-1-ium dihydrochloride Traditional Name: 1-(2,6-dimethyl-3-nitro-4-pyridyl)-1-oxido-diazepan-1-ium dihydrochloride Formula: C12H20Cl2N4O3 MolecularWeight: 339.2182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)[N+]2(CCCCCN2)[O-])[N+](=O)[O-])C.Cl.Cl

Isomeric SMILES

CC1=NC(=C(C(=C1)[N+]2(CCCCCN2)[O-])[N+](=O)[O-])C.Cl.Cl

InChI

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