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

Systemtic Name: 1-[2-[4-(1-adamantyl)phenoxy]ethyl]-1-ethyl-piperidin-1-ium iodide Openeye Name: 1-[2-[4-(1-adamantyl)phenoxy]ethyl]-1-ethyl-piperidin-1-ium iodide CAS Name: 1-[2-[4-(1-adamantyl)phenoxy]ethyl]-1-ethylpiperidin-1-ium iodide IUPAC Name: 1-[2-[4-(1-adamantyl)phenoxy]ethyl]-1-ethylpiperidin-1-ium iodide Traditional Name: 1-[2-[4-(1-adamantyl)phenoxy]ethyl]-1-ethyl-piperidin-1-ium iodide Formula: C25H38INO MolecularWeight: 495.47979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38NO.HI/c1-2-26(10-4-3-5-11-26)12-13-27-24-8-6-23(7-9-24)25-17-20-14-21(18-25)16-22(15-20)19-25;/h6-9,20-22H,2-5,10-19H2,1H3;1H/q+1;/p-1