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

Systemtic Name: [3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-2-oxidanylidene-chromen-7-yl] propanoate Openeye Name: [3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-2-oxo-chromen-7-yl] propanoate CAS Name: propanoic acid [3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-2-oxochromen-7-yl] propanoate Traditional Name: propionic acid [2-keto-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)chromen-7-yl] ester Formula: C20H17N2O4+ MolecularWeight: 349.35998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=[N+](C4=CC=CC=C4N3)C

Isomeric SMILES

CCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=[N+](C4=CC=CC=C4N3)C

InChI

InChI=1S/C20H16N2O4/c1-3-18(23)25-13-9-8-12-10-14(20(24)26-17(12)11-13)19-21-15-6-4-5-7-16(15)22(19)2/h4-11H,3H2,1-2H3/p+1