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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(COCCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)C[C@H](COCCC23CC4CC(C2)CC(C4)C3)O

InChI

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