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

Systemtic Name: 9-[4-(3-phenyl-1-propyl-pyrrolidin-1-ium-1-yl)but-2-ynyl]fluoren-9-ol bromide Openeye Name: 9-[4-(3-phenyl-1-propyl-pyrrolidin-1-ium-1-yl)but-2-ynyl]fluoren-9-ol bromide CAS Name: 9-[4-(3-phenyl-1-propyl-1-pyrrolidin-1-iumyl)but-2-ynyl]-9-fluorenol bromide IUPAC Name: 9-[4-(3-phenyl-1-propylpyrrolidin-1-ium-1-yl)but-2-ynyl]fluoren-9-ol bromide Traditional Name: 9-[4-(3-phenyl-1-propyl-pyrrolidin-1-ium-1-yl)but-2-ynyl]fluoren-9-ol bromide Formula: C30H32BrNO MolecularWeight: 502.48518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32NO.BrH/c1-2-20-31(22-18-25(23-31)24-12-4-3-5-13-24)21-11-10-19-30(32)28-16-8-6-14-26(28)27-15-7-9-17-29(27)30;/h3-9,12-17,25,32H,2,18-23H2,1H3;1H/q+1;/p-1