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

Systemtic Name: [6-ethyl-2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-4-oxidanylidene-chromen-7-yl] 2,2-dimethylpropanoate Openeye Name: [6-ethyl-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 [6-ethyl-2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [6-ethyl-2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-4-oxochromen-7-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [6-ethyl-4-keto-2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)chromen-7-yl] ester Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=[N+](C4=CC=CC=C4N3)C)OC(=O)C(C)(C)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=[N+](C4=CC=CC=C4N3)C)OC(=O)C(C)(C)C

InChI

InChI=1S/C25H26N2O4/c1-7-15-12-16-20(13-19(15)31-24(29)25(3,4)5)30-14(2)21(22(16)28)23-26-17-10-8-9-11-18(17)27(23)6/h8-13H,7H2,1-6H3/p+1