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

Systemtic Name: 4-[(2,3-diethylpyridazino[1,6-a]benzimidazol-10-ium-5-yl)methyl]benzoate Openeye Name: 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]benzoate IUPAC Name: 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]benzoate Formula: C22H21N3O2 MolecularWeight: 359.42104

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)[O-])N=C1CC

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2/c1-3-16-13-21-24(14-15-9-11-17(12-10-15)22(26)27)19-7-5-6-8-20(19)25(21)23-18(16)4-2/h5-13H,3-4,14H2,1-2H3