dimethyl-[[3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]azanium

Systemtic Name: dimethyl-[[3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]azanium Openeye Name: [7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-2-oxo-chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-2-oxo-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-2-oxochromen-8-yl]methyl-dimethylazanium Traditional Name: [7-hydroxy-2-keto-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C20H21N3O3+2 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)C3=CC4=C(C(=C(C=C4)O)C[NH+](C)C)OC3=O

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)C3=CC4=C(C(=C(C=C4)O)C[NH+](C)C)OC3=O

InChI

InChI=1S/C20H19N3O3/c1-22(2)11-14-17(24)9-8-12-10-13(20(25)26-18(12)14)19-21-15-6-4-5-7-16(15)23(19)3/h4-10H,11H2,1-3H3,(H,21,24,25)/p+2