(1S,2R)-1-(3-methylphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1S,2R)-1-(3-methylphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2R)-1-(m-tolyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2R)-1-(3-methylphenyl)-1,2-diphenyl-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1S,2R)-1-(3-methylphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2R)-1-(m-tolyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C27H32NO+ MolecularWeight: 386.54908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=CC=C2)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=CC=C1)[C@@](C2=CC=CC=C2)([C@@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H31NO/c1-22-12-11-17-25(20-22)27(29,24-15-7-3-8-16-24)26(23-13-5-2-6-14-23)21-28-18-9-4-10-19-28/h2-3,5-8,11-17,20,26,29H,4,9-10,18-19,21H2,1H3/p+1/t26-,27-/m0/s1