1-isoquinolin-2-ium-2-ylpropan-2-one iodide

Systemtic Name: 1-isoquinolin-2-ium-2-ylpropan-2-one iodide Openeye Name: 1-isoquinolin-2-ium-2-ylpropan-2-one iodide CAS Name: 1-(2-isoquinolin-2-iumyl)-2-propanone iodide IUPAC Name: 1-isoquinolin-2-ium-2-ylpropan-2-one iodide Traditional Name: 1-isoquinolin-2-ium-2-ylacetone iodide Formula: C12H12INO MolecularWeight: 313.13425

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=CC2=CC=CC=C2C=C1.[I-]

Isomeric SMILES

CC(=O)C[N+]1=CC2=CC=CC=C2C=C1.[I-]

InChI

InChI=1S/C12H12NO.HI/c1-10(14)8-13-7-6-11-4-2-3-5-12(11)9-13;/h2-7,9H,8H2,1H3;1H/q+1;/p-1