1-methyl-N-[3-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propyl]pyridin-1-ium-3-carboxamide diiodide

Systemtic Name: 1-methyl-N-[3-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propyl]pyridin-1-ium-3-carboxamide diiodide Openeye Name: 1-methyl-N-[3-[(1-methylpyridin-1-ium-3-carbonyl)amino]propyl]pyridin-1-ium-3-carboxamide diiodide CAS Name: 1-methyl-N-[3-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]propyl]-3-pyridin-1-iumcarboxamide diiodide IUPAC Name: 1-methyl-N-[3-[(1-methylpyridin-1-ium-3-carbonyl)amino]propyl]pyridin-1-ium-3-carboxamide diiodide Traditional Name: 1-methyl-N-[3-[(1-methylpyridin-1-ium-3-carbonyl)amino]propyl]pyridin-1-ium-3-carboxamide diiodide Formula: C17H22I2N4O2 MolecularWeight: 568.19112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2.2HI/c1-20-10-3-6-14(12-20)16(22)18-8-5-9-19-17(23)15-7-4-11-21(2)13-15;;/h3-4,6-7,10-13H,5,8-9H2,1-2H3;2*1H