(1S,2R)-1-(1-adamantyl)-2-piperidin-1-yl-propane-1,3-diol

Systemtic Name: (1S,2R)-1-(1-adamantyl)-2-piperidin-1-yl-propane-1,3-diol Openeye Name: (1S,2R)-1-(1-adamantyl)-2-(1-piperidyl)propane-1,3-diol CAS Name: (1S,2R)-1-(1-adamantyl)-2-(1-piperidinyl)propane-1,3-diol IUPAC Name: (1S,2R)-1-(1-adamantyl)-2-piperidin-1-ylpropane-1,3-diol Traditional Name: (1S,2R)-1-(1-adamantyl)-2-piperidino-propane-1,3-diol Formula: C18H31NO2 MolecularWeight: 293.44424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CO)C(C23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

C1CCN(CC1)[C@H](CO)[C@H](C23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C18H31NO2/c20-12-16(19-4-2-1-3-5-19)17(21)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-17,20-21H,1-12H2/t13?,14?,15?,16-,17-,18?/m1/s1