1-isoquinolin-2-ium-4-ylpropan-1-one

Systemtic Name: 1-isoquinolin-2-ium-4-ylpropan-1-one Openeye Name: 1-isoquinolin-2-ium-4-ylpropan-1-one CAS Name: 1-(4-isoquinolin-2-iumyl)-1-propanone IUPAC Name: 1-isoquinolin-2-ium-4-ylpropan-1-one Traditional Name: 1-isoquinolin-2-ium-4-ylpropan-1-one Formula: C12H12NO+ MolecularWeight: 186.22978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C[NH+]=CC2=CC=CC=C21

Isomeric SMILES

CCC(=O)C1=C[NH+]=CC2=CC=CC=C21

InChI

InChI=1S/C12H11NO/c1-2-12(14)11-8-13-7-9-5-3-4-6-10(9)11/h3-8H,2H2,1H3/p+1