methyl 4-[(2,3-diethylpyridazino[1,6-a]benzimidazol-10-ium-5-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2,3-diethylpyridazino[1,6-a]benzimidazol-10-ium-5-yl)methyl]benzoate Openeye Name: methyl 4-[(2,3-diethylpyridazino[1,6-a]benzimidazol-10-ium-5-yl)methyl]benzoate CAS Name: 4-[(2,3-diethyl-5-pyridazino[1,6-a]benzimidazol-10-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,3-diethylpyridazino[1,6-a]benzimidazol-10-ium-5-yl)methyl]benzoate Traditional Name: 4-[(2,3-diethylpyridazino[1,6-a]benzimidazol-10-ium-5-yl)methyl]benzoic acid methyl ester Formula: C23H24N3O2+ MolecularWeight: 374.45556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=[N+](C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)OC)N=C1CC

Isomeric SMILES

CCC1=CC2=[N+](C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)OC)N=C1CC

InChI

InChI=1S/C23H24N3O2/c1-4-17-14-22-25(15-16-10-12-18(13-11-16)23(27)28-3)20-8-6-7-9-21(20)26(22)24-19(17)5-2/h6-14H,4-5,15H2,1-3H3/q+1