N-(2-hydroxyethyl)-1-[6-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-3-carboxamide diiodide

Systemtic Name: N-(2-hydroxyethyl)-1-[6-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-3-carboxamide diiodide Openeye Name: N-(2-hydroxyethyl)-1-[6-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-3-carboxamide diiodide CAS Name: N-(2-hydroxyethyl)-1-[6-[3-[(2-hydroxyethylamino)-oxomethyl]-1-pyridin-1-iumyl]hexyl]-3-pyridin-1-iumcarboxamide diiodide IUPAC Name: N-(2-hydroxyethyl)-1-[6-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-3-carboxamide diiodide Traditional Name: N-(2-hydroxyethyl)-1-[6-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-3-carboxamide diiodide Formula: C22H32I2N4O4 MolecularWeight: 670.32282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4.2HI/c27-15-9-23-21(29)19-7-5-13-25(17-19)11-3-1-2-4-12-26-14-6-8-20(18-26)22(30)24-10-16-28;;/h5-8,13-14,17-18,27-28H,1-4,9-12,15-16H2;2*1H