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

Systemtic Name: [(1R)-1-methyl-1-[3-(1,2-oxazol-3-yl)propyl]piperidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [(1R)-1-(3-isoxazol-3-ylpropyl)-1-methyl-piperidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic 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] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [(1R)-1-(3-isoxazol-3-ylpropyl)-1-methyl-piperidin-1-ium-3-yl] ester Formula: C26H29N2O4+ MolecularWeight: 433.51946

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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)CCCC5=NOC=C5

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)O)CCCC5=NOC=C5

InChI

InChI=1S/C26H29N2O4/c1-28(15-6-8-19-14-17-31-27-19)16-7-9-20(18-28)32-25(29)26(30)23-12-4-2-10-21(23)22-11-3-5-13-24(22)26/h2-5,10-14,17,20,30H,6-9,15-16,18H2,1H3/q+1/t20?,28-/m1/s1