[(1R)-1-methyl-1-(2-pyrimidin-2-ylethyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(1R)-1-methyl-1-(2-pyrimidin-2-ylethyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-(2-pyrimidin-2-ylethyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(1R)-1-methyl-1-[2-(2-pyrimidinyl)ethyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(2-pyrimidin-2-ylethyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(1R)-1-methyl-1-[2-(2-pyrimidyl)ethyl]piperidin-1-ium-3-yl] ester Formula: C25H34N3O3+ MolecularWeight: 424.55576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCC4=NC=CC=N4

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCC4=NC=CC=N4

InChI

InChI=1S/C25H34N3O3/c1-28(18-14-23-26-15-8-16-27-23)17-7-13-22(19-28)31-24(29)25(30,21-11-5-6-12-21)20-9-3-2-4-10-20/h2-4,8-10,15-16,21-22,30H,5-7,11-14,17-19H2,1H3/q+1/t22?,25?,28-/m1/s1