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

Systemtic Name: [(1R)-1-methyl-1-(3-pyridin-3-ylpropyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-[3-(3-pyridyl)propyl]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-[3-(3-pyridinyl)propyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(3-pyridin-3-ylpropyl)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-[3-(3-pyridyl)propyl]piperidin-1-ium-3-yl] ester Formula: C27H37N2O3+ MolecularWeight: 437.59428

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)CCCC4=CN=CC=C4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCCC4=CN=CC=C4

InChI

InChI=1S/C27H37N2O3/c1-29(18-8-11-22-10-7-17-28-20-22)19-9-16-25(21-29)32-26(30)27(31,24-14-5-6-15-24)23-12-3-2-4-13-23/h2-4,7,10,12-13,17,20,24-25,31H,5-6,8-9,11,14-16,18-19,21H2,1H3/q+1/t25?,27?,29-/m1/s1