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

Systemtic Name: [6-ethyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-4-oxidanylidene-chromen-7-yl] ethanoate Openeye Name: [6-ethyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-4-oxo-chromen-7-yl] acetate CAS Name: acetic acid [6-ethyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [6-ethyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-4-oxochromen-7-yl] acetate Traditional Name: acetic acid [6-ethyl-4-keto-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)chromen-7-yl] ester Formula: C21H19N2O4+ MolecularWeight: 363.38656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=[N+](C4=CC=CC=C4N3)C)OC(=O)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=[N+](C4=CC=CC=C4N3)C)OC(=O)C

InChI

InChI=1S/C21H18N2O4/c1-4-13-9-14-19(10-18(13)27-12(2)24)26-11-15(20(14)25)21-22-16-7-5-6-8-17(16)23(21)3/h5-11H,4H2,1-3H3/p+1