isoquinolin-2-ium-2-yl(phenyl)methanone chloride

Systemtic Name: isoquinolin-2-ium-2-yl(phenyl)methanone chloride Openeye Name: isoquinolin-2-ium-2-yl(phenyl)methanone chloride CAS Name: 2-isoquinolin-2-iumyl(phenyl)methanone chloride IUPAC Name: isoquinolin-2-ium-2-yl(phenyl)methanone chloride Traditional Name: isoquinolin-2-ium-2-yl(phenyl)methanone chloride Formula: C16H12ClNO MolecularWeight: 269.72558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12NO.ClH/c18-16(14-7-2-1-3-8-14)17-11-10-13-6-4-5-9-15(13)12-17;/h1-12H;1H/q+1;/p-1