1-methyl-N-[7-[(1-methylpyridin-1-ium-4-yl)carbonylamino]heptyl]pyridin-1-ium-4-carboxamide diiodide

Systemtic Name: 1-methyl-N-[7-[(1-methylpyridin-1-ium-4-yl)carbonylamino]heptyl]pyridin-1-ium-4-carboxamide diiodide Openeye Name: 1-methyl-N-[7-[(1-methylpyridin-1-ium-4-carbonyl)amino]heptyl]pyridin-1-ium-4-carboxamide diiodide CAS Name: 1-methyl-N-[7-[[(1-methyl-4-pyridin-1-iumyl)-oxomethyl]amino]heptyl]-4-pyridin-1-iumcarboxamide diiodide IUPAC Name: 1-methyl-N-[7-[(1-methylpyridin-1-ium-4-carbonyl)amino]heptyl]pyridin-1-ium-4-carboxamide diiodide Traditional Name: 1-methyl-N-[7-[(1-methylpyridin-1-ium-4-carbonyl)amino]heptyl]pyridin-1-ium-4-carboxamide diiodide Formula: C21H30I2N4O2 MolecularWeight: 624.29744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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