1-[2-[4-(1-adamantyl)phenoxy]ethyl]-1-methyl-piperidin-1-ium iodide

Systemtic Name: 1-[2-[4-(1-adamantyl)phenoxy]ethyl]-1-methyl-piperidin-1-ium iodide Openeye Name: 1-[2-[4-(1-adamantyl)phenoxy]ethyl]-1-methyl-piperidin-1-ium iodide CAS Name: 1-[2-[4-(1-adamantyl)phenoxy]ethyl]-1-methylpiperidin-1-ium iodide IUPAC Name: 1-[2-[4-(1-adamantyl)phenoxy]ethyl]-1-methylpiperidin-1-ium iodide Traditional Name: 1-[2-[4-(1-adamantyl)phenoxy]ethyl]-1-methyl-piperidin-1-ium iodide Formula: C24H36INO MolecularWeight: 481.45321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCOC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCOC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4.[I-]

InChI

InChI=1S/C24H36NO.HI/c1-25(9-3-2-4-10-25)11-12-26-23-7-5-22(6-8-23)24-16-19-13-20(17-24)15-21(14-19)18-24;/h5-8,19-21H,2-4,9-18H2,1H3;1H/q+1;/p-1