9-[(1R)-1-methyl-1-(2-pyridin-2-ylethyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate

Systemtic Name: 9-[(1R)-1-methyl-1-(2-pyridin-2-ylethyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Openeye Name: 9-[(1R)-1-methyl-1-[2-(2-pyridyl)ethyl]piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate CAS Name: 9-[[(1R)-1-methyl-1-[2-(2-pyridinyl)ethyl]-3-piperidin-1-iumyl]oxy-oxomethyl]-9-fluorenolate IUPAC Name: 9-[(1R)-1-methyl-1-(2-pyridin-2-ylethyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Traditional Name: 9-[(1R)-1-methyl-1-[2-(2-pyridyl)ethyl]piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Formula: C27H28N2O3 MolecularWeight: 428.52282

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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=N5

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)[O-])CCC5=CC=CC=N5

InChI

InChI=1S/C27H28N2O3/c1-29(18-15-20-9-6-7-16-28-20)17-8-10-21(19-29)32-26(30)27(31)24-13-4-2-11-22(24)23-12-3-5-14-25(23)27/h2-7,9,11-14,16,21H,8,10,15,17-19H2,1H3/t21?,29-/m1/s1