[(1R)-1-methyl-1-(2-pyrimidin-4-ylethyl)piperidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate

Systemtic Name: [(1R)-1-methyl-1-(2-pyrimidin-4-ylethyl)piperidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [(1R)-1-methyl-1-(2-pyrimidin-4-ylethyl)piperidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic acid [(1R)-1-methyl-1-[2-(4-pyrimidinyl)ethyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(2-pyrimidin-4-ylethyl)piperidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [(1R)-1-methyl-1-[2-(4-pyrimidyl)ethyl]piperidin-1-ium-3-yl] ester Formula: C26H28N3O3+ MolecularWeight: 430.51882

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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=NC=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H28N3O3/c1-29(16-13-19-12-14-27-18-28-19)15-6-7-20(17-29)32-25(30)26(31)23-10-4-2-8-21(23)22-9-3-5-11-24(22)26/h2-5,8-12,14,18,20,31H,6-7,13,15-17H2,1H3/q+1/t20?,29-/m1/s1