N-methyl-3,5-dinitro-pyridin-1-ium-2-amine

Systemtic Name: N-methyl-3,5-dinitro-pyridin-1-ium-2-amine Openeye Name: N-methyl-3,5-dinitro-pyridin-1-ium-2-amine CAS Name: N-methyl-3,5-dinitro-2-pyridin-1-iumamine IUPAC Name: N-methyl-3,5-dinitropyridin-1-ium-2-amine Traditional Name: (3,5-dinitropyridin-1-ium-2-yl)-methyl-amine Formula: C6H7N4O4+ MolecularWeight: 199.14418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=[NH+]1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=[NH+]1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H6N4O4/c1-7-6-5(10(13)14)2-4(3-8-6)9(11)12/h2-3H,1H3,(H,7,8)/p+1