1-[4-(1-adamantyl)phenoxy]-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-ol

Systemtic Name: 1-[4-(1-adamantyl)phenoxy]-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-ol Openeye Name: 1-[4-(1-adamantyl)phenoxy]-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-ol CAS Name: 1-[4-(1-adamantyl)phenoxy]-3-(1-methyl-1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: 1-[4-(1-adamantyl)phenoxy]-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-ol Traditional Name: 1-[4-(1-adamantyl)phenoxy]-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-ol Formula: C24H36NO2+ MolecularWeight: 370.54814

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

C[N+]1(CCCC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C24H36NO2/c1-25(8-2-3-9-25)16-22(26)17-27-23-6-4-21(5-7-23)24-13-18-10-19(14-24)12-20(11-18)15-24/h4-7,18-20,22,26H,2-3,8-17H2,1H3/q+1