(2S)-1-(1-adamantyloxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(1-adamantyloxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2S)-1-(1-adamantyloxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2S)-1-(1-adamantyloxy)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(1-adamantyloxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2S)-1-(1-adamantyloxy)-3-(4-pyridin-1-ium-2-ylpiperazino)propan-2-ol Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC23CC4CC(C2)CC(C4)C3)O)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1C[C@@H](COC23CC4CC(C2)CC(C4)C3)O)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H33N3O2/c26-20(15-24-5-7-25(8-6-24)21-3-1-2-4-23-21)16-27-22-12-17-9-18(13-22)11-19(10-17)14-22/h1-4,17-20,26H,5-16H2/p+1/t17?,18?,19?,20-,22?/m0/s1