ethyl 3-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C25H27N2O4+ MolecularWeight: 419.49288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC(=O)OC4=CC(=C(C=C34)C)C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC(=O)OC4=CC(=C(C=C34)C)C)C

InChI

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