[4-(1-adamantyl)-7-[diethyl(methyl)azaniumyl]-4-oxidanyl-heptyl]-diethyl-methyl-azanium diiodide

Systemtic Name: [4-(1-adamantyl)-7-[diethyl(methyl)azaniumyl]-4-oxidanyl-heptyl]-diethyl-methyl-azanium diiodide Openeye Name: [4-(1-adamantyl)-7-[diethyl(methyl)ammonio]-4-hydroxy-heptyl]-diethyl-methyl-ammonium diiodide CAS Name: [4-(1-adamantyl)-7-[diethyl(methyl)ammonio]-4-hydroxyheptyl]-diethyl-methylammonium diiodide IUPAC Name: [4-(1-adamantyl)-7-[diethyl(methyl)azaniumyl]-4-hydroxyheptyl]-diethyl-methylazanium diiodide Traditional Name: [4-(1-adamantyl)-7-[diethyl(methyl)ammonio]-4-hydroxy-heptyl]-diethyl-methyl-ammonium diiodide Formula: C27H54I2N2O MolecularWeight: 676.5394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H54N2O.2HI/c1-7-28(5,8-2)15-11-13-27(30,14-12-16-29(6,9-3)10-4)26-20-23-17-24(21-26)19-25(18-23)22-26;;/h23-25,30H,7-22H2,1-6H3;2*1H/q+2;;/p-2