[(1R)-1-methyl-1-[2-(1,2-oxazol-3-yl)ethyl]piperidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate

Systemtic Name: [(1R)-1-methyl-1-[2-(1,2-oxazol-3-yl)ethyl]piperidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [(1R)-1-(2-isoxazol-3-ylethyl)-1-methyl-piperidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic 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] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [(1R)-1-(2-isoxazol-3-ylethyl)-1-methyl-piperidin-1-ium-3-yl] ester Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)O)CCC5=NOC=C5

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)O)CCC5=NOC=C5

InChI

InChI=1S/C25H27N2O4/c1-27(15-12-18-13-16-30-26-18)14-6-7-19(17-27)31-24(28)25(29)22-10-4-2-8-20(22)21-9-3-5-11-23(21)25/h2-5,8-11,13,16,19,29H,6-7,12,14-15,17H2,1H3/q+1/t19?,27-/m1/s1