3-(3-methylimidazol-3-ium-1-yl)chromen-2-one chloride

Systemtic Name: 3-(3-methylimidazol-3-ium-1-yl)chromen-2-one chloride Openeye Name: 3-(3-methylimidazol-3-ium-1-yl)chromen-2-one chloride CAS Name: 3-(3-methyl-1-imidazol-3-iumyl)-1-benzopyran-2-one chloride IUPAC Name: 3-(3-methylimidazol-3-ium-1-yl)chromen-2-one chloride Traditional Name: 3-(3-methylimidazol-3-ium-1-yl)coumarin chloride Formula: C13H11ClN2O2 MolecularWeight: 262.69164

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C2=CC3=CC=CC=C3OC2=O.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)C2=CC3=CC=CC=C3OC2=O.[Cl-]

InChI

InChI=1S/C13H11N2O2.ClH/c1-14-6-7-15(9-14)11-8-10-4-2-3-5-12(10)17-13(11)16;/h2-9H,1H3;1H/q+1;/p-1