3-(1H-benzimidazol-3-ium-2-yl)-6-bromanyl-chromen-2-one perchlorate

Systemtic Name: 3-(1H-benzimidazol-3-ium-2-yl)-6-bromanyl-chromen-2-one perchlorate Openeye Name: 3-(1H-benzimidazol-3-ium-2-yl)-6-bromo-chromen-2-one perchlorate CAS Name: 3-(1H-benzimidazol-3-ium-2-yl)-6-bromo-1-benzopyran-2-one perchlorate IUPAC Name: 3-(1H-benzimidazol-3-ium-2-yl)-6-bromochromen-2-one perchlorate Traditional Name: 3-(1H-benzimidazol-3-ium-2-yl)-6-bromo-coumarin perchlorate Formula: C16H10BrClN2O6 MolecularWeight: 441.6174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)C3=CC4=C(C=CC(=C4)Br)OC3=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)C3=CC4=C(C=CC(=C4)Br)OC3=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H9BrN2O2.ClHO4/c17-10-5-6-14-9(7-10)8-11(16(20)21-14)15-18-12-3-1-2-4-13(12)19-15;2-1(3,4)5/h1-8H,(H,18,19);(H,2,3,4,5)