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

Systemtic Name: 4-[(2,3-diethylpyridazino[1,6-a]benzimidazol-10-ium-5-yl)methyl]benzoic acid Openeye Name: 4-[(2,3-diethylpyridazino[1,6-a]benzimidazol-10-ium-5-yl)methyl]benzoic acid CAS Name: 4-[(2,3-diethyl-5-pyridazino[1,6-a]benzimidazol-10-iumyl)methyl]benzoic acid IUPAC Name: 4-[(2,3-diethylpyridazino[1,6-a]benzimidazol-10-ium-5-yl)methyl]benzoic acid Traditional Name: 4-[(2,3-diethylpyridazino[1,6-a]benzimidazol-10-ium-5-yl)methyl]benzoic acid Formula: C22H22N3O2+ MolecularWeight: 360.42898

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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/p+1