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

Systemtic Name: [(1R)-1-methyl-1-(2-pyridin-3-ylethyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-[2-(3-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-(3-pyridinyl)ethyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(2-pyridin-3-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-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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