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

Systemtic Name: [3-(1H-benzimidazol-3-ium-2-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] ethanoate Openeye Name: [3-(1H-benzimidazol-3-ium-2-yl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl] acetate CAS Name: acetic acid [3-(1H-benzimidazol-3-ium-2-yl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1H-benzimidazol-3-ium-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] acetate Traditional Name: acetic acid [3-(1H-benzimidazol-3-ium-2-yl)-6-ethyl-4-keto-2-methyl-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(=C(O2)C)C3=[NH+]C4=CC=CC=C4N3)OC(=O)C

Isomeric SMILES

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

InChI

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