[(1R)-1-methyl-1-(3-pyridin-4-ylpropyl)piperidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate

Systemtic Name: [(1R)-1-methyl-1-(3-pyridin-4-ylpropyl)piperidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [(1R)-1-methyl-1-[3-(4-pyridyl)propyl]piperidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic acid [(1R)-1-methyl-1-(3-pyridin-4-ylpropyl)-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(3-pyridin-4-ylpropyl)piperidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [(1R)-1-methyl-1-[3-(4-pyridyl)propyl]piperidin-1-ium-3-yl] ester Formula: C28H31N2O3+ MolecularWeight: 443.55734

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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=CC=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H31N2O3/c1-30(18-6-8-21-14-16-29-17-15-21)19-7-9-22(20-30)33-27(31)28(32)25-12-4-2-10-23(25)24-11-3-5-13-26(24)28/h2-5,10-17,22,32H,6-9,18-20H2,1H3/q+1/t22?,30-/m1/s1