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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(COCCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1C[C@H](COCCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C21H37NO2/c1-16-4-2-3-6-22(16)14-20(23)15-24-7-5-21-11-17-8-18(12-21)10-19(9-17)13-21/h16-20,23H,2-15H2,1H3/p+1/t16-,17?,18?,19?,20+,21?/m0/s1