[(3R)-1-(pyren-1-ylmethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-(pyren-1-ylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-(pyren-1-ylmethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-(1-pyrenylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-(pyren-1-ylmethyl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-(pyren-1-ylmethyl)piperidin-1-ium-3-yl]methanol Formula: C23H24NO+ MolecularWeight: 330.44276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)CO

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)CO

InChI

InChI=1S/C23H23NO/c25-15-16-3-2-12-24(13-16)14-20-9-8-19-7-6-17-4-1-5-18-10-11-21(20)23(19)22(17)18/h1,4-11,16,25H,2-3,12-15H2/p+1/t16-/m1/s1