9-[(1R)-1-methyl-1-(3-pyrimidin-4-ylpropyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate

Systemtic Name: 9-[(1R)-1-methyl-1-(3-pyrimidin-4-ylpropyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Openeye Name: 9-[(1R)-1-methyl-1-(3-pyrimidin-4-ylpropyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate CAS Name: 9-[[(1R)-1-methyl-1-[3-(4-pyrimidinyl)propyl]-3-piperidin-1-iumyl]oxy-oxomethyl]-9-fluorenolate IUPAC Name: 9-[(1R)-1-methyl-1-(3-pyrimidin-4-ylpropyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Traditional Name: 9-[(1R)-1-methyl-1-[3-(4-pyrimidyl)propyl]piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Formula: C27H29N3O3 MolecularWeight: 443.53746

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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-])CCCC5=NC=NC=C5

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)[O-])CCCC5=NC=NC=C5

InChI

InChI=1S/C27H29N3O3/c1-30(16-6-8-20-14-15-28-19-29-20)17-7-9-21(18-30)33-26(31)27(32)24-12-4-2-10-22(24)23-11-3-5-13-25(23)27/h2-5,10-15,19,21H,6-9,16-18H2,1H3/t21?,30-/m1/s1