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

Systemtic Name: 9-[(1R)-1-methyl-1-(3-pyridin-4-ylpropyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Openeye Name: 9-[(1R)-1-methyl-1-[3-(4-pyridyl)propyl]piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate CAS Name: 9-[[(1R)-1-methyl-1-(3-pyridin-4-ylpropyl)-3-piperidin-1-iumyl]oxy-oxomethyl]-9-fluorenolate IUPAC Name: 9-[(1R)-1-methyl-1-(3-pyridin-4-ylpropyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Traditional Name: 9-[(1R)-1-methyl-1-[3-(4-pyridyl)propyl]piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Formula: C28H30N2O3 MolecularWeight: 442.5494

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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=CC=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O3/c1-30(18-6-8-21-14-16-29-17-15-21)19-7-9-22(20-30)33-27(31)28(32)25-12-4-2-10-23(25)24-11-3-5-13-26(24)28/h2-5,10-17,22H,6-9,18-20H2,1H3/t22?,30-/m1/s1