N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(2-pyridin-2-yl-3H-benzimidazol-1-ium-1-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(2-pyridin-2-yl-3H-benzimidazol-1-ium-1-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyleneamino)-2-[2-(2-pyridyl)-3H-benzimidazol-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethylideneamino)-2-[2-(2-pyridinyl)-3H-benzimidazol-1-ium-1-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(2-pyridin-2-yl-3H-benzimidazol-1-ium-1-yl)acetamide Traditional Name: N-(piperonylideneamino)-2-[2-(2-pyridyl)-3H-benzimidazol-1-ium-1-yl]acetamide Formula: C22H18N5O3+ MolecularWeight: 400.41002

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C[N+]3=C(NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C[N+]3=C(NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C22H17N5O3/c28-21(26-24-12-15-8-9-19-20(11-15)30-14-29-19)13-27-18-7-2-1-5-16(18)25-22(27)17-6-3-4-10-23-17/h1-12H,13-14H2,(H,26,28)/p+1