3,5-dinitro-N-(pyridin-3-ylmethyl)pyridin-1-ium-2-amine

Systemtic Name: 3,5-dinitro-N-(pyridin-3-ylmethyl)pyridin-1-ium-2-amine Openeye Name: 3,5-dinitro-N-(3-pyridylmethyl)pyridin-1-ium-2-amine CAS Name: 3,5-dinitro-N-(3-pyridinylmethyl)-2-pyridin-1-iumamine IUPAC Name: 3,5-dinitro-N-(pyridin-3-ylmethyl)pyridin-1-ium-2-amine Traditional Name: (3,5-dinitropyridin-1-ium-2-yl)-(3-pyridylmethyl)amine Formula: C11H10N5O4+ MolecularWeight: 276.2282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C=C(C=[NH+]2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C=C(C=[NH+]2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H9N5O4/c17-15(18)9-4-10(16(19)20)11(14-7-9)13-6-8-2-1-3-12-5-8/h1-5,7H,6H2,(H,13,14)/p+1