1-[1-[5-(3-ethanoylpyridin-1-ium-1-yl)hexan-2-yl]pyridin-1-ium-3-yl]ethanone iodide

Systemtic Name: 1-[1-[5-(3-ethanoylpyridin-1-ium-1-yl)hexan-2-yl]pyridin-1-ium-3-yl]ethanone iodide Openeye Name: 1-[1-[4-(3-acetylpyridin-1-ium-1-yl)-1-methyl-pentyl]pyridin-1-ium-3-yl]ethanone iodide CAS Name: 1-[1-[5-(3-acetyl-1-pyridin-1-iumyl)hexan-2-yl]-3-pyridin-1-iumyl]ethanone iodide IUPAC Name: 1-[1-[5-(3-acetylpyridin-1-ium-1-yl)hexan-2-yl]pyridin-1-ium-3-yl]ethanone iodide Traditional Name: 1-[1-[4-(3-acetylpyridin-1-ium-1-yl)-1-methyl-pentyl]pyridin-1-ium-3-yl]ethanone iodide Formula: C20H26IN2O2+ MolecularWeight: 453.33711

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C)[N+]1=CC=CC(=C1)C(=O)C)[N+]2=CC=CC(=C2)C(=O)C.[I-]

Isomeric SMILES

CC(CCC(C)[N+]1=CC=CC(=C1)C(=O)C)[N+]2=CC=CC(=C2)C(=O)C.[I-]

InChI

InChI=1S/C20H26N2O2.HI/c1-15(21-11-5-7-19(13-21)17(3)23)9-10-16(2)22-12-6-8-20(14-22)18(4)24;/h5-8,11-16H,9-10H2,1-4H3;1H/q+2;/p-1