7-bromanyl-4-[(3-methylimidazol-3-ium-1-yl)methyl]chromen-2-one chloride

Systemtic Name: 7-bromanyl-4-[(3-methylimidazol-3-ium-1-yl)methyl]chromen-2-one chloride Openeye Name: 7-bromo-4-[(3-methylimidazol-3-ium-1-yl)methyl]chromen-2-one chloride CAS Name: 7-bromo-4-[(3-methyl-1-imidazol-3-iumyl)methyl]-1-benzopyran-2-one chloride IUPAC Name: 7-bromo-4-[(3-methylimidazol-3-ium-1-yl)methyl]chromen-2-one chloride Traditional Name: 7-bromo-4-[(3-methylimidazol-3-ium-1-yl)methyl]coumarin chloride Formula: C14H12BrClN2O2 MolecularWeight: 355.61428

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CC(=O)OC3=C2C=CC(=C3)Br.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CC(=O)OC3=C2C=CC(=C3)Br.[Cl-]

InChI

InChI=1S/C14H12BrN2O2.ClH/c1-16-4-5-17(9-16)8-10-6-14(18)19-13-7-11(15)2-3-12(10)13;/h2-7,9H,8H2,1H3;1H/q+1;/p-1