[(3R)-1-(2-adamantyl)-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-(2-adamantyl)-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-(2-adamantyl)-3-(o-tolylmethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-(2-adamantyl)-3-[(2-methylphenyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-(2-adamantyl)-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-(2-adamantyl)-3-(2-methylbenzyl)piperidin-1-ium-3-yl]methanol Formula: C24H36NO+ MolecularWeight: 354.54874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCC[NH+](C2)C3C4CC5CC(C4)CC3C5)CO

Isomeric SMILES

CC1=CC=CC=C1C[C@@]2(CCC[NH+](C2)C3C4CC5CC(C4)CC3C5)CO

InChI

InChI=1S/C24H35NO/c1-17-5-2-3-6-20(17)14-24(16-26)7-4-8-25(15-24)23-21-10-18-9-19(12-21)13-22(23)11-18/h2-3,5-6,18-19,21-23,26H,4,7-16H2,1H3/p+1/t18?,19?,21?,22?,23?,24-/m1/s1