[2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-4-oxidanylidene-chromen-7-yl] 2,2-dimethylpropanoate

Systemtic Name: [2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-4-oxidanylidene-chromen-7-yl] 2,2-dimethylpropanoate Openeye Name: [2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-4-oxo-chromen-7-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-4-oxochromen-7-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-keto-2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)chromen-7-yl] ester Formula: C23H23N2O4+ MolecularWeight: 391.43972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C)(C)C)C3=[N+](C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C)(C)C)C3=[N+](C4=CC=CC=C4N3)C

InChI

InChI=1S/C23H22N2O4/c1-13-19(21-24-16-8-6-7-9-17(16)25(21)5)20(26)15-11-10-14(12-18(15)28-13)29-22(27)23(2,3)4/h6-12H,1-5H3/p+1