1-(6-methyl-4-nitro-1-oxidanidyl-pyridin-1-ium-2-yl)azepane

Systemtic Name: 1-(6-methyl-4-nitro-1-oxidanidyl-pyridin-1-ium-2-yl)azepane Openeye Name: 1-(6-methyl-4-nitro-1-oxido-pyridin-1-ium-2-yl)azepane CAS Name: 1-(6-methyl-4-nitro-1-oxido-2-pyridin-1-iumyl)azepane IUPAC Name: 1-(6-methyl-4-nitro-1-oxidopyridin-1-ium-2-yl)azepane Traditional Name: 1-(6-methyl-4-nitro-1-oxido-pyridin-1-ium-2-yl)azepane Formula: C12H17N3O3 MolecularWeight: 251.28168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC(=C1)[N+](=O)[O-])N2CCCCCC2)[O-]

Isomeric SMILES

CC1=[N+](C(=CC(=C1)[N+](=O)[O-])N2CCCCCC2)[O-]

InChI

InChI=1S/C12H17N3O3/c1-10-8-11(15(17)18)9-12(14(10)16)13-6-4-2-3-5-7-13/h8-9H,2-7H2,1H3