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

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

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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=CC=CC=N4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCCC4=CC=CC=N4

InChI

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