2-(4,4-diphenylbutyl)isoquinolin-2-ium-5-ol bromide

Systemtic Name: 2-(4,4-diphenylbutyl)isoquinolin-2-ium-5-ol bromide Openeye Name: 2-(4,4-diphenylbutyl)isoquinolin-2-ium-5-ol bromide CAS Name: 2-(4,4-diphenylbutyl)-5-isoquinolin-2-iumol bromide IUPAC Name: 2-(4,4-diphenylbutyl)isoquinolin-2-ium-5-ol bromide Traditional Name: 2-(4,4-diphenylbutyl)isoquinolin-2-ium-5-ol bromide Formula: C25H24BrNO MolecularWeight: 434.36816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCC[N+]2=CC3=C(C=C2)C(=CC=C3)O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(CCC[N+]2=CC3=C(C=C2)C(=CC=C3)O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H23NO.BrH/c27-25-15-7-13-22-19-26(18-16-24(22)25)17-8-14-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21;/h1-7,9-13,15-16,18-19,23H,8,14,17H2;1H