[(1R)-1-methyl-1-(2-pyridin-4-ylethyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(1R)-1-methyl-1-(2-pyridin-4-ylethyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-[2-(4-pyridyl)ethyl]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-pyridin-4-ylethyl)-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(2-pyridin-4-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-(4-pyridyl)ethyl]piperidin-1-ium-3-yl] ester Formula: C26H35N2O3+ MolecularWeight: 423.5677

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCC4=CC=NC=C4

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCC4=CC=NC=C4

InChI

InChI=1S/C26H35N2O3/c1-28(19-15-21-13-16-27-17-14-21)18-7-12-24(20-28)31-25(29)26(30,23-10-5-6-11-23)22-8-3-2-4-9-22/h2-4,8-9,13-14,16-17,23-24,30H,5-7,10-12,15,18-20H2,1H3/q+1/t24?,26?,28-/m1/s1