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

Systemtic Name: 9-[(1R)-1-methyl-1-(3-pyrimidin-2-ylpropyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Openeye Name: 9-[(1R)-1-methyl-1-(3-pyrimidin-2-ylpropyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate CAS Name: 9-[[(1R)-1-methyl-1-[3-(2-pyrimidinyl)propyl]-3-piperidin-1-iumyl]oxy-oxomethyl]-9-fluorenolate IUPAC Name: 9-[(1R)-1-methyl-1-(3-pyrimidin-2-ylpropyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Traditional Name: 9-[(1R)-1-methyl-1-[3-(2-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=CC=N5

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)[O-])CCCC5=NC=CC=N5

InChI

InChI=1S/C27H29N3O3/c1-30(18-7-14-25-28-15-8-16-29-25)17-6-9-20(19-30)33-26(31)27(32)23-12-4-2-10-21(23)22-11-3-5-13-24(22)27/h2-5,8,10-13,15-16,20H,6-7,9,14,17-19H2,1H3/t20?,30-/m0/s1