9-[4-(1-methyl-3-phenyl-pyrrolidin-1-ium-1-yl)but-2-ynyl]fluoren-9-ol iodide

Systemtic Name: 9-[4-(1-methyl-3-phenyl-pyrrolidin-1-ium-1-yl)but-2-ynyl]fluoren-9-ol iodide Openeye Name: 9-[4-(1-methyl-3-phenyl-pyrrolidin-1-ium-1-yl)but-2-ynyl]fluoren-9-ol iodide CAS Name: 9-[4-(1-methyl-3-phenyl-1-pyrrolidin-1-iumyl)but-2-ynyl]-9-fluorenol iodide IUPAC Name: 9-[4-(1-methyl-3-phenylpyrrolidin-1-ium-1-yl)but-2-ynyl]fluoren-9-ol iodide Traditional Name: 9-[4-(1-methyl-3-phenyl-pyrrolidin-1-ium-1-yl)but-2-ynyl]fluoren-9-ol iodide Formula: C28H28INO MolecularWeight: 521.43249

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)C2=CC=CC=C2)CC#CCC3(C4=CC=CC=C4C5=CC=CC=C53)O.[I-]

Isomeric SMILES

C[N+]1(CCC(C1)C2=CC=CC=C2)CC#CCC3(C4=CC=CC=C4C5=CC=CC=C53)O.[I-]

InChI

InChI=1S/C28H28NO.HI/c1-29(20-17-23(21-29)22-11-3-2-4-12-22)19-10-9-18-28(30)26-15-7-5-13-24(26)25-14-6-8-16-27(25)28;/h2-8,11-16,23,30H,17-21H2,1H3;1H/q+1;/p-1