2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)propan-1-one bromide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)propan-1-one bromide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)propan-1-one bromide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(4-phenylphenyl)-1-propanone bromide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)propan-1-one bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)propan-1-one bromide Formula: C24H20BrNO MolecularWeight: 418.3257

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4C=C3.[Br-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4C=C3.[Br-]

InChI

InChI=1S/C24H20NO.BrH/c1-18(25-16-15-20-9-5-6-10-23(20)17-25)24(26)22-13-11-21(12-14-22)19-7-3-2-4-8-19;/h2-18H,1H3;1H/q+1;/p-1