[4-(1-adamantyl)-4-oxidanyl-7-(trimethylazaniumyl)heptyl]-trimethyl-azanium diiodide

Systemtic Name: [4-(1-adamantyl)-4-oxidanyl-7-(trimethylazaniumyl)heptyl]-trimethyl-azanium diiodide Openeye Name: [4-(1-adamantyl)-4-hydroxy-7-(trimethylammonio)heptyl]-trimethyl-ammonium diiodide CAS Name: [4-(1-adamantyl)-4-hydroxy-7-(trimethylammonio)heptyl]-trimethylammonium diiodide IUPAC Name: [4-(1-adamantyl)-4-hydroxy-7-(trimethylazaniumyl)heptyl]-trimethylazanium diiodide Traditional Name: [4-(1-adamantyl)-4-hydroxy-7-(trimethylammonio)heptyl]-trimethyl-ammonium diiodide Formula: C23H46I2N2O MolecularWeight: 620.43308

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCC(CCC[N+](C)(C)C)(C12CC3CC(C1)CC(C3)C2)O.[I-].[I-]

Isomeric SMILES

C[N+](C)(C)CCCC(CCC[N+](C)(C)C)(C12CC3CC(C1)CC(C3)C2)O.[I-].[I-]

InChI

InChI=1S/C23H46N2O.2HI/c1-24(2,3)11-7-9-23(26,10-8-12-25(4,5)6)22-16-19-13-20(17-22)15-21(14-19)18-22;;/h19-21,26H,7-18H2,1-6H3;2*1H/q+2;;/p-2