[(1R)-1-methyl-1-(3-pyrimidin-5-ylpropyl)piperidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate

Systemtic Name: [(1R)-1-methyl-1-(3-pyrimidin-5-ylpropyl)piperidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [(1R)-1-methyl-1-(3-pyrimidin-5-ylpropyl)piperidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic acid [(1R)-1-methyl-1-[3-(5-pyrimidinyl)propyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(3-pyrimidin-5-ylpropyl)piperidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [(1R)-1-methyl-1-[3-(5-pyrimidyl)propyl]piperidin-1-ium-3-yl] ester Formula: C27H30N3O3+ MolecularWeight: 444.5454

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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=CN=CN=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H30N3O3/c1-30(14-6-8-20-16-28-19-29-17-20)15-7-9-21(18-30)33-26(31)27(32)24-12-4-2-10-22(24)23-11-3-5-13-25(23)27/h2-5,10-13,16-17,19,21,32H,6-9,14-15,18H2,1H3/q+1/t21?,30-/m1/s1