2-[4,4-bis(4-fluorophenyl)butyl]isoquinolin-2-ium-5-ol bromide

Systemtic Name: 2-[4,4-bis(4-fluorophenyl)butyl]isoquinolin-2-ium-5-ol bromide Openeye Name: 2-[4,4-bis(4-fluorophenyl)butyl]isoquinolin-2-ium-5-ol bromide CAS Name: 2-[4,4-bis(4-fluorophenyl)butyl]-5-isoquinolin-2-iumol bromide IUPAC Name: 2-[4,4-bis(4-fluorophenyl)butyl]isoquinolin-2-ium-5-ol bromide Traditional Name: 2-[4,4-bis(4-fluorophenyl)butyl]isoquinolin-2-ium-5-ol bromide Formula: C25H22BrF2NO MolecularWeight: 470.349086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C[N+](=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C(=C1)O.[Br-]

Isomeric SMILES

C1=CC2=C(C=C[N+](=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C(=C1)O.[Br-]

InChI

InChI=1S/C25H21F2NO.BrH/c26-21-10-6-18(7-11-21)23(19-8-12-22(27)13-9-19)4-2-15-28-16-14-24-20(17-28)3-1-5-25(24)29;/h1,3,5-14,16-17,23H,2,4,15H2;1H