2,4-dinitro-N-(1-pyridin-1-ium-1-ylbutan-2-ylideneamino)aniline iodide

Systemtic Name: 2,4-dinitro-N-(1-pyridin-1-ium-1-ylbutan-2-ylideneamino)aniline iodide Openeye Name: 2,4-dinitro-N-[1-(pyridin-1-ium-1-ylmethyl)propylideneamino]aniline iodide CAS Name: 2,4-dinitro-N-[1-(1-pyridin-1-iumyl)butan-2-ylideneamino]aniline iodide IUPAC Name: 2,4-dinitro-N-(1-pyridin-1-ium-1-ylbutan-2-ylideneamino)aniline iodide Traditional Name: (2,4-dinitrophenyl)-[1-(pyridin-1-ium-1-ylmethyl)propylideneamino]amine iodide Formula: C15H16IN5O4 MolecularWeight: 457.22311

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C[N+]2=CC=CC=C2.[I-]

Isomeric SMILES

CCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C[N+]2=CC=CC=C2.[I-]

InChI

InChI=1S/C15H16N5O4.HI/c1-2-12(11-18-8-4-3-5-9-18)16-17-14-7-6-13(19(21)22)10-15(14)20(23)24;/h3-10,17H,2,11H2,1H3;1H/q+1;/p-1