4-(1-adamantyl)-1-(1-ethylpiperidin-1-ium-1-yl)-7-(1-methylpiperidin-1-ium-1-yl)heptan-4-ol diiodide

Systemtic Name: 4-(1-adamantyl)-1-(1-ethylpiperidin-1-ium-1-yl)-7-(1-methylpiperidin-1-ium-1-yl)heptan-4-ol diiodide Openeye Name: 4-(1-adamantyl)-1-(1-ethylpiperidin-1-ium-1-yl)-7-(1-methylpiperidin-1-ium-1-yl)heptan-4-ol diiodide CAS Name: 4-(1-adamantyl)-1-(1-ethyl-1-piperidin-1-iumyl)-7-(1-methyl-1-piperidin-1-iumyl)-4-heptanol diiodide IUPAC Name: 4-(1-adamantyl)-1-(1-ethylpiperidin-1-ium-1-yl)-7-(1-methylpiperidin-1-ium-1-yl)heptan-4-ol diiodide Traditional Name: 4-(1-adamantyl)-1-(1-ethylpiperidin-1-ium-1-yl)-7-(1-methylpiperidin-1-ium-1-yl)heptan-4-ol diiodide Formula: C30H56I2N2O MolecularWeight: 714.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)CCCC(CCC[N+]2(CCCCC2)C)(C34CC5CC(C3)CC(C5)C4)O.[I-].[I-]

Isomeric SMILES

CC[N+]1(CCCCC1)CCCC(CCC[N+]2(CCCCC2)C)(C34CC5CC(C3)CC(C5)C4)O.[I-].[I-]

InChI

InChI=1S/C30H56N2O.2HI/c1-3-32(17-8-5-9-18-32)19-11-13-30(33,12-10-16-31(2)14-6-4-7-15-31)29-23-26-20-27(24-29)22-28(21-26)25-29;;/h26-28,33H,3-25H2,1-2H3;2*1H/q+2;;/p-2