(2S)-1-[2-(1-adamantyl)ethoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[2-(1-adamantyl)ethoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[2-(1-adamantyl)ethoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[2-(1-adamantyl)ethoxy]-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-(1-adamantyl)ethoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[2-(1-adamantyl)ethoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C20H37N2O2+ MolecularWeight: 337.51998

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COCCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@@H](COCCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C20H36N2O2/c1-21-3-5-22(6-4-21)14-19(23)15-24-7-2-20-11-16-8-17(12-20)10-18(9-16)13-20/h16-19,23H,2-15H2,1H3/p+1/t16?,17?,18?,19-,20?/m0/s1