N-[(2,5-dimethoxyphenyl)methyl]-3,5-dinitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-3,5-dinitro-pyridin-1-ium-2-amine Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-3,5-dinitro-pyridin-1-ium-2-amine CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-3,5-dinitro-2-pyridin-1-iumamine IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-3,5-dinitropyridin-1-ium-2-amine Traditional Name: (2,5-dimethoxybenzyl)-(3,5-dinitropyridin-1-ium-2-yl)amine Formula: C14H15N4O6+ MolecularWeight: 335.2921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC2=C(C=C(C=[NH+]2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC2=C(C=C(C=[NH+]2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O6/c1-23-11-3-4-13(24-2)9(5-11)7-15-14-12(18(21)22)6-10(8-16-14)17(19)20/h3-6,8H,7H2,1-2H3,(H,15,16)/p+1