1-phenyl-2-[3-(phenylmethyl)isoquinolin-2-ium-2-yl]ethanone bromide

Systemtic Name: 1-phenyl-2-[3-(phenylmethyl)isoquinolin-2-ium-2-yl]ethanone bromide Openeye Name: 2-(3-benzylisoquinolin-2-ium-2-yl)-1-phenyl-ethanone bromide CAS Name: 1-phenyl-2-[3-(phenylmethyl)-2-isoquinolin-2-iumyl]ethanone bromide IUPAC Name: 2-(3-benzylisoquinolin-2-ium-2-yl)-1-phenylethanone bromide Traditional Name: 2-(3-benzylisoquinolin-2-ium-2-yl)-1-phenyl-ethanone bromide Formula: C24H20BrNO MolecularWeight: 418.3257

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=CC=CC=C3C=[N+]2CC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=CC=CC=C3C=[N+]2CC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C24H20NO.BrH/c26-24(20-11-5-2-6-12-20)18-25-17-22-14-8-7-13-21(22)16-23(25)15-19-9-3-1-4-10-19;/h1-14,16-17H,15,18H2;1H/q+1;/p-1