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

Systemtic Name: 9-[(1R)-1-methyl-1-(2-pyrimidin-2-ylethyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Openeye Name: 9-[(1R)-1-methyl-1-(2-pyrimidin-2-ylethyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate CAS Name: 9-[[(1R)-1-methyl-1-[2-(2-pyrimidinyl)ethyl]-3-piperidin-1-iumyl]oxy-oxomethyl]-9-fluorenolate IUPAC Name: 9-[(1R)-1-methyl-1-(2-pyrimidin-2-ylethyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Traditional Name: 9-[(1R)-1-methyl-1-[2-(2-pyrimidyl)ethyl]piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Formula: C26H27N3O3 MolecularWeight: 429.51088

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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=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3/c1-29(17-13-24-27-14-7-15-28-24)16-6-8-19(18-29)32-25(30)26(31)22-11-4-2-9-20(22)21-10-3-5-12-23(21)26/h2-5,7,9-12,14-15,19H,6,8,13,16-18H2,1H3/t19?,29-/m1/s1