[(3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-3-(o-tolylmethyl)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-3-(2-methylbenzyl)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanol Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCC[NH+](C2)CC3=CC=NC=C3)CO

Isomeric SMILES

CC1=CC=CC=C1C[C@@]2(CCC[NH+](C2)CC3=CC=NC=C3)CO

InChI

InChI=1S/C20H26N2O/c1-17-5-2-3-6-19(17)13-20(16-23)9-4-12-22(15-20)14-18-7-10-21-11-8-18/h2-3,5-8,10-11,23H,4,9,12-16H2,1H3/p+1/t20-/m1/s1