1-methyl-N-[7-[(1-methylpyridin-1-ium-3-yl)carbonylamino]heptyl]pyridin-1-ium-3-carboxamide diiodide

Systemtic Name: 1-methyl-N-[7-[(1-methylpyridin-1-ium-3-yl)carbonylamino]heptyl]pyridin-1-ium-3-carboxamide diiodide Openeye Name: 1-methyl-N-[7-[(1-methylpyridin-1-ium-3-carbonyl)amino]heptyl]pyridin-1-ium-3-carboxamide diiodide CAS Name: 1-methyl-N-[7-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]heptyl]-3-pyridin-1-iumcarboxamide diiodide IUPAC Name: 1-methyl-N-[7-[(1-methylpyridin-1-ium-3-carbonyl)amino]heptyl]pyridin-1-ium-3-carboxamide diiodide Traditional Name: 1-methyl-N-[7-[(1-methylpyridin-1-ium-3-carbonyl)amino]heptyl]pyridin-1-ium-3-carboxamide diiodide Formula: C21H30I2N4O2 MolecularWeight: 624.29744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2.2HI/c1-24-14-8-10-18(16-24)20(26)22-12-6-4-3-5-7-13-23-21(27)19-11-9-15-25(2)17-19;;/h8-11,14-17H,3-7,12-13H2,1-2H3;2*1H