N,N,1-trimethyl-3,5-dinitro-pyridin-1-ium-4-amine perchlorate

Systemtic Name: N,N,1-trimethyl-3,5-dinitro-pyridin-1-ium-4-amine perchlorate Openeye Name: N,N,1-trimethyl-3,5-dinitro-pyridin-1-ium-4-amine perchlorate CAS Name: N,N,1-trimethyl-3,5-dinitro-4-pyridin-1-iumamine perchlorate IUPAC Name: N,N,1-trimethyl-3,5-dinitropyridin-1-ium-4-amine perchlorate Traditional Name: dimethyl-(1-methyl-3,5-dinitro-pyridin-1-ium-4-yl)amine perchlorate Formula: C8H11ClN4O8 MolecularWeight: 326.64794

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C(=C1)[N+](=O)[O-])N(C)C)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=CC(=C(C(=C1)[N+](=O)[O-])N(C)C)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C8H11N4O4.ClHO4/c1-9(2)8-6(11(13)14)4-10(3)5-7(8)12(15)16;2-1(3,4)5/h4-5H,1-3H3;(H,2,3,4,5)/q+1;/p-1