(2R,3R)-1,3-bis(4-methylphenyl)-2-oxidanyl-3-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: (2R,3R)-1,3-bis(4-methylphenyl)-2-oxidanyl-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: (2R,3R)-2-hydroxy-3-piperidin-1-ium-1-yl-1,3-bis(p-tolyl)propan-1-one CAS Name: (2R,3R)-2-hydroxy-1,3-bis(4-methylphenyl)-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: (2R,3R)-2-hydroxy-1,3-bis(4-methylphenyl)-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: (2R,3R)-2-hydroxy-3-piperidin-1-ium-1-yl-1,3-bis(p-tolyl)propan-1-one Formula: C22H28NO2+ MolecularWeight: 338.46322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C(=O)C2=CC=C(C=C2)C)O)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]([C@H](C(=O)C2=CC=C(C=C2)C)O)[NH+]3CCCCC3

InChI

InChI=1S/C22H27NO2/c1-16-6-10-18(11-7-16)20(23-14-4-3-5-15-23)22(25)21(24)19-12-8-17(2)9-13-19/h6-13,20,22,25H,3-5,14-15H2,1-2H3/p+1/t20-,22-/m1/s1