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

Systemtic Name: 4-[(2,3-dimethylpyridazino[1,6-a]benzimidazol-10-ium-5-yl)methyl]benzoic acid Openeye Name: 4-[(2,3-dimethylpyridazino[1,6-a]benzimidazol-10-ium-5-yl)methyl]benzoic acid CAS Name: 4-[(2,3-dimethyl-5-pyridazino[1,6-a]benzimidazol-10-iumyl)methyl]benzoic acid IUPAC Name: 4-[(2,3-dimethylpyridazino[1,6-a]benzimidazol-10-ium-5-yl)methyl]benzoic acid Traditional Name: 4-[(2,3-dimethylpyridazino[1,6-a]benzimidazol-10-ium-5-yl)methyl]benzoic acid Formula: C20H18N3O2+ MolecularWeight: 332.37582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)O)N=C1C

Isomeric SMILES

CC1=CC2=[N+](C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)O)N=C1C

InChI

InChI=1S/C20H17N3O2/c1-13-11-19-22(12-15-7-9-16(10-8-15)20(24)25)17-5-3-4-6-18(17)23(19)21-14(13)2/h3-11H,12H2,1-2H3/p+1