1-[4-(1-adamantyl)phenoxy]-3-(1,4-dimethylpiperidin-1-ium-1-yl)propan-2-ol iodide

Systemtic Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,4-dimethylpiperidin-1-ium-1-yl)propan-2-ol iodide Openeye Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,4-dimethylpiperidin-1-ium-1-yl)propan-2-ol iodide CAS Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,4-dimethyl-1-piperidin-1-iumyl)-2-propanol iodide IUPAC Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,4-dimethylpiperidin-1-ium-1-yl)propan-2-ol iodide Traditional Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,4-dimethylpiperidin-1-ium-1-yl)propan-2-ol iodide Formula: C26H40INO2 MolecularWeight: 525.50577

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](CC1)(C)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O.[I-]

Isomeric SMILES

CC1CC[N+](CC1)(C)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O.[I-]

InChI

InChI=1S/C26H40NO2.HI/c1-19-7-9-27(2,10-8-19)17-24(28)18-29-25-5-3-23(4-6-25)26-14-20-11-21(15-26)13-22(12-20)16-26;/h3-6,19-22,24,28H,7-18H2,1-2H3;1H/q+1;/p-1