[(1R)-1-methyl-1-(3-pyrimidin-5-ylpropyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(1R)-1-methyl-1-(3-pyrimidin-5-ylpropyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-(3-pyrimidin-5-ylpropyl)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-(5-pyrimidinyl)propyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(3-pyrimidin-5-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-(5-pyrimidyl)propyl]piperidin-1-ium-3-yl] ester Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N3O3/c1-29(15-7-9-21-17-27-20-28-18-21)16-8-14-24(19-29)32-25(30)26(31,23-12-5-6-13-23)22-10-3-2-4-11-22/h2-4,10-11,17-18,20,23-24,31H,5-9,12-16,19H2,1H3/q+1/t24?,26?,29-/m1/s1