2-isoquinolin-2-ium-2-yl-1-phenyl-propan-1-one bromide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-phenyl-propan-1-one bromide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-phenyl-propan-1-one bromide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-phenyl-1-propanone bromide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-phenylpropan-1-one bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-phenyl-propan-1-one bromide Formula: C18H16BrNO MolecularWeight: 342.22974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)[N+]2=CC3=CC=CC=C3C=C2.[Br-]

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)[N+]2=CC3=CC=CC=C3C=C2.[Br-]

InChI

InChI=1S/C18H16NO.BrH/c1-14(18(20)16-8-3-2-4-9-16)19-12-11-15-7-5-6-10-17(15)13-19;/h2-14H,1H3;1H/q+1;/p-1