(2S)-1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-3-phenethyloxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-3-phenethyloxy-propan-2-ol Openeye Name: (2S)-1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-3-phenethyloxy-propan-2-ol CAS Name: (2S)-1-[4-(1-adamantyl)-1-piperazin-4-iumyl]-3-phenethyloxy-2-propanol IUPAC Name: (2S)-1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-3-phenethyloxypropan-2-ol Traditional Name: (2S)-1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-3-phenethyloxy-propan-2-ol Formula: C25H39N2O2+ MolecularWeight: 399.58936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)CC(COCCC5=CC=CC=C5)O

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C[C@@H](COCCC5=CC=CC=C5)O

InChI

InChI=1S/C25H38N2O2/c28-24(19-29-11-6-20-4-2-1-3-5-20)18-26-7-9-27(10-8-26)25-15-21-12-22(16-25)14-23(13-21)17-25/h1-5,21-24,28H,6-19H2/p+1/t21?,22?,23?,24-,25?/m0/s1