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

Systemtic Name: (2S)-1-[2-(1-adamantyl)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2S)-1-[2-(1-adamantyl)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2S)-1-[2-(1-adamantyl)ethoxy]-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-[2-(1-adamantyl)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2S)-1-[2-(1-adamantyl)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazino)propan-2-ol Formula: C24H38N3O2+ MolecularWeight: 400.57742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCCC23CC4CC(C2)CC(C4)C3)O)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1C[C@@H](COCCC23CC4CC(C2)CC(C4)C3)O)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H37N3O2/c28-22(17-26-6-8-27(9-7-26)23-3-1-2-5-25-23)18-29-10-4-24-14-19-11-20(15-24)13-21(12-19)16-24/h1-3,5,19-22,28H,4,6-18H2/p+1/t19?,20?,21?,22-,24?/m0/s1