ethyl 1-ethyl-3-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[(7-ethyl-2-keto-chromen-4-yl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=[N+](C4=C3C=C(C=C4)C(=O)OCC)CC)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=[N+](C4=C3C=C(C=C4)C(=O)OCC)CC)C

InChI

InChI=1S/C25H27N2O4/c1-5-17-8-10-20-19(14-24(28)31-23(20)12-17)15-27-16(4)26(6-2)21-11-9-18(13-22(21)27)25(29)30-7-3/h8-14H,5-7,15H2,1-4H3/q+1