[(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate

Systemtic Name: [(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic acid [(1R)-1-methyl-1-phenethyl-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-phenethylpiperidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl] ester Formula: C28H30NO3+ MolecularWeight: 428.5427

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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=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H30NO3/c1-29(19-17-21-10-3-2-4-11-21)18-9-12-22(20-29)32-27(30)28(31)25-15-7-5-13-23(25)24-14-6-8-16-26(24)28/h2-8,10-11,13-16,22,31H,9,12,17-20H2,1H3/q+1/t22?,29-/m1/s1