1-[(2,4-dinitrophenyl)methyl]pyridin-1-ium iodide

Systemtic Name: 1-[(2,4-dinitrophenyl)methyl]pyridin-1-ium iodide Openeye Name: 1-[(2,4-dinitrophenyl)methyl]pyridin-1-ium iodide CAS Name: 1-[(2,4-dinitrophenyl)methyl]pyridin-1-ium iodide IUPAC Name: 1-[(2,4-dinitrophenyl)methyl]pyridin-1-ium iodide Traditional Name: 1-(2,4-dinitrobenzyl)pyridin-1-ium iodide Formula: C12H10IN3O4 MolecularWeight: 387.12997

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[I-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[I-]

InChI

InChI=1S/C12H10N3O4.HI/c16-14(17)11-5-4-10(12(8-11)15(18)19)9-13-6-2-1-3-7-13;/h1-8H,9H2;1H/q+1;/p-1