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

Systemtic Name: ethyl 1-ethyl-3-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[(2-keto-7-methoxy-chromen-4-yl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C24H25N2O5+ MolecularWeight: 421.4657

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC(=O)OC4=C3C=CC(=C4)OC)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC(=O)OC4=C3C=CC(=C4)OC)C

InChI

InChI=1S/C24H25N2O5/c1-5-25-15(3)26(21-11-16(7-10-20(21)25)24(28)30-6-2)14-17-12-23(27)31-22-13-18(29-4)8-9-19(17)22/h7-13H,5-6,14H2,1-4H3/q+1