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

Systemtic Name: 9-[(1R)-1-methyl-1-(2-pyridin-3-ylethyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Openeye Name: 9-[(1R)-1-methyl-1-[2-(3-pyridyl)ethyl]piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate CAS Name: 9-[[(1R)-1-methyl-1-[2-(3-pyridinyl)ethyl]-3-piperidin-1-iumyl]oxy-oxomethyl]-9-fluorenolate IUPAC Name: 9-[(1R)-1-methyl-1-(2-pyridin-3-ylethyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Traditional Name: 9-[(1R)-1-methyl-1-[2-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

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