9-[(1R)-1-methyl-1-[2-oxidanylidene-2-(pyrimidin-4-ylamino)ethyl]piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate

Systemtic Name: 9-[(1R)-1-methyl-1-[2-oxidanylidene-2-(pyrimidin-4-ylamino)ethyl]piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Openeye Name: 9-[(1R)-1-methyl-1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate CAS Name: 9-[[(1R)-1-methyl-1-[2-oxo-2-(4-pyrimidinylamino)ethyl]-3-piperidin-1-iumyl]oxy-oxomethyl]-9-fluorenolate IUPAC Name: 9-[(1R)-1-methyl-1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Traditional Name: 9-[(1R)-1-[2-keto-2-(4-pyrimidylamino)ethyl]-1-methyl-piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Formula: C26H26N4O4 MolecularWeight: 458.50904

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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-])CC(=O)NC5=NC=NC=C5

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)[O-])CC(=O)NC5=NC=NC=C5

InChI

InChI=1S/C26H26N4O4/c1-30(16-24(31)29-23-12-13-27-17-28-23)14-6-7-18(15-30)34-25(32)26(33)21-10-4-2-8-19(21)20-9-3-5-11-22(20)26/h2-5,8-13,17-18H,6-7,14-16H2,1H3,(H,27,28,29,31)/t18?,30-/m1/s1