(2R)-1-[2-(1-adamantyl)ethoxy]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-[2-(1-adamantyl)ethoxy]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[2-(1-adamantyl)ethoxy]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[2-(1-adamantyl)ethoxy]-3-(4-methyl-1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-(1-adamantyl)ethoxy]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[2-(1-adamantyl)ethoxy]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Formula: C21H38NO2+ MolecularWeight: 336.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COCCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@H](COCCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C21H37NO2/c1-16-2-5-22(6-3-16)14-20(23)15-24-7-4-21-11-17-8-18(12-21)10-19(9-17)13-21/h16-20,23H,2-15H2,1H3/p+1/t17?,18?,19?,20-,21?/m1/s1