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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3,5-dinitro-pyridin-1-ium-2-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-3,5-dinitro-pyridin-1-ium-2-amine CAS Name: N-[3-(1-imidazolyl)propyl]-3,5-dinitro-2-pyridin-1-iumamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-3,5-dinitropyridin-1-ium-2-amine Traditional Name: (3,5-dinitropyridin-1-ium-2-yl)-(3-imidazol-1-ylpropyl)amine Formula: C11H13N6O4+ MolecularWeight: 293.25872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC2=C(C=C(C=[NH+]2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)CCCNC2=C(C=C(C=[NH+]2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N6O4/c18-16(19)9-6-10(17(20)21)11(14-7-9)13-2-1-4-15-5-3-12-8-15/h3,5-8H,1-2,4H2,(H,13,14)/p+1