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

Systemtic Name: [(1R)-1-methyl-1-[3-(1,2-oxazol-3-yl)propyl]piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-(3-isoxazol-3-ylpropyl)-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-[3-(3-isoxazolyl)propyl]-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-[3-(1,2-oxazol-3-yl)propyl]piperidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(1R)-1-(3-isoxazol-3-ylpropyl)-1-methyl-piperidin-1-ium-3-yl] ester Formula: C25H35N2O4+ MolecularWeight: 427.5564

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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=NOC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H35N2O4/c1-27(16-7-13-22-15-18-30-26-22)17-8-14-23(19-27)31-24(28)25(29,21-11-5-6-12-21)20-9-3-2-4-10-20/h2-4,9-10,15,18,21,23,29H,5-8,11-14,16-17,19H2,1H3/q+1/t23?,25?,27-/m1/s1