9-[(1R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate

Systemtic Name: 9-[(1R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Openeye Name: 9-[(1R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate CAS Name: 9-[[(1R)-1-methyl-1-(3-phenylpropyl)-3-piperidin-1-iumyl]oxy-oxomethyl]-9-fluorenolate IUPAC Name: 9-[(1R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Traditional Name: 9-[(1R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl]oxycarbonylfluoren-9-olate Formula: C29H31NO3 MolecularWeight: 441.56134

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO3/c1-30(19-9-13-22-11-3-2-4-12-22)20-10-14-23(21-30)33-28(31)29(32)26-17-7-5-15-24(26)25-16-6-8-18-27(25)29/h2-8,11-12,15-18,23H,9-10,13-14,19-21H2,1H3/t23?,30-/m1/s1