1-isoquinolin-2-ium-2-ylpropan-2-one perchlorate

Systemtic Name: 1-isoquinolin-2-ium-2-ylpropan-2-one perchlorate Openeye Name: 1-isoquinolin-2-ium-2-ylpropan-2-one perchlorate CAS Name: 1-(2-isoquinolin-2-iumyl)-2-propanone perchlorate IUPAC Name: 1-isoquinolin-2-ium-2-ylpropan-2-one perchlorate Traditional Name: 1-isoquinolin-2-ium-2-ylacetone perchlorate Formula: C12H12ClNO5 MolecularWeight: 285.68038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12NO.ClHO4/c1-10(14)8-13-7-6-11-4-2-3-5-12(11)9-13;2-1(3,4)5/h2-7,9H,8H2,1H3;(H,2,3,4,5)/q+1;/p-1