[(1R)-1-methyl-1-[2-(1,2-oxazol-3-yl)ethyl]piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(1R)-1-methyl-1-[2-(1,2-oxazol-3-yl)ethyl]piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-(2-isoxazol-3-ylethyl)-1-methyl-piperidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(1R)-1-[2-(3-isoxazolyl)ethyl]-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-[2-(1,2-oxazol-3-yl)ethyl]piperidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(1R)-1-(2-isoxazol-3-ylethyl)-1-methyl-piperidin-1-ium-3-yl] ester Formula: C24H33N2O4+ MolecularWeight: 413.52982

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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=NOC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H33N2O4/c1-26(16-13-21-14-17-29-25-21)15-7-12-22(18-26)30-23(27)24(28,20-10-5-6-11-20)19-8-3-2-4-9-19/h2-4,8-9,14,17,20,22,28H,5-7,10-13,15-16,18H2,1H3/q+1/t22?,24?,26-/m1/s1