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

Systemtic Name: [3-(1H-benzimidazol-3-ium-2-yl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-2-oxo-chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-2-oxo-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-2-oxochromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-2-keto-chromen-8-yl]methyl-dimethyl-ammonium Formula: C19H19N3O3+2 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC(=O)C(=C2)C3=[NH+]C4=CC=CC=C4N3)O

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC(=O)C(=C2)C3=[NH+]C4=CC=CC=C4N3)O

InChI

InChI=1S/C19H17N3O3/c1-22(2)10-13-16(23)8-7-11-9-12(19(24)25-17(11)13)18-20-14-5-3-4-6-15(14)21-18/h3-9,23H,10H2,1-2H3,(H,20,21)/p+2