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

Systemtic Name: 1-[4-(1-adamantyl)phenoxy]-3-(1-ethylpyrrolidin-1-ium-1-yl)propan-2-ol Openeye Name: 1-[4-(1-adamantyl)phenoxy]-3-(1-ethylpyrrolidin-1-ium-1-yl)propan-2-ol CAS Name: 1-[4-(1-adamantyl)phenoxy]-3-(1-ethyl-1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: 1-[4-(1-adamantyl)phenoxy]-3-(1-ethylpyrrolidin-1-ium-1-yl)propan-2-ol Traditional Name: 1-[4-(1-adamantyl)phenoxy]-3-(1-ethylpyrrolidin-1-ium-1-yl)propan-2-ol Formula: C25H38NO2+ MolecularWeight: 384.57472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38NO2/c1-2-26(9-3-4-10-26)17-23(27)18-28-24-7-5-22(6-8-24)25-14-19-11-20(15-25)13-21(12-19)16-25/h5-8,19-21,23,27H,2-4,9-18H2,1H3/q+1