[1-methyl-1-(4-oxidanylidene-4-phenyl-butyl)pyrrolidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate

Systemtic Name: [1-methyl-1-(4-oxidanylidene-4-phenyl-butyl)pyrrolidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [1-methyl-1-(4-oxo-4-phenyl-butyl)pyrrolidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic acid [1-methyl-1-(4-oxo-4-phenylbutyl)-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [1-(4-keto-4-phenyl-butyl)-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C29H30NO4+ MolecularWeight: 456.5528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30NO4/c1-30(18-9-16-27(31)21-10-3-2-4-11-21)19-17-22(20-30)34-28(32)29(33)25-14-7-5-12-23(25)24-13-6-8-15-26(24)29/h2-8,10-15,22,33H,9,16-20H2,1H3/q+1