[(1R)-1-methyl-1-(3-pyridin-2-ylpropyl)piperidin-1-ium-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [(1R)-1-methyl-1-(3-pyridin-2-ylpropyl)piperidin-1-ium-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-[3-(2-pyridyl)propyl]piperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(1R)-1-methyl-1-[3-(2-pyridinyl)propyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(3-pyridin-2-ylpropyl)piperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(1R)-1-methyl-1-[3-(2-pyridyl)propyl]piperidin-1-ium-3-yl] ester Formula: C28H33N2O3+ MolecularWeight: 445.57322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC4=CC=CC=N4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC4=CC=CC=N4

InChI

InChI=1S/C28H33N2O3/c1-30(20-10-17-25-16-8-9-19-29-25)21-11-18-26(22-30)33-27(31)28(32,23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-9,12-16,19,26,32H,10-11,17-18,20-22H2,1H3/q+1/t26?,30-/m1/s1