[3-[4-(1-adamantyl)phenoxy]-2-oxidanyl-propyl]-trimethyl-azanium iodide

Systemtic Name: [3-[4-(1-adamantyl)phenoxy]-2-oxidanyl-propyl]-trimethyl-azanium iodide Openeye Name: [3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]-trimethyl-ammonium iodide CAS Name: [3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]-trimethylammonium iodide IUPAC Name: [3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]-trimethylazanium iodide Traditional Name: [3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]-trimethyl-ammonium iodide Formula: C22H34INO2 MolecularWeight: 471.41533

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)O.[I-]

Isomeric SMILES

C[N+](C)(C)CC(COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)O.[I-]

InChI

InChI=1S/C22H34NO2.HI/c1-23(2,3)14-20(24)15-25-21-6-4-19(5-7-21)22-11-16-8-17(12-22)10-18(9-16)13-22;/h4-7,16-18,20,24H,8-15H2,1-3H3;1H/q+1;/p-1