1-(2,5-dimethoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)benzimidazole-5-carboxamide

Systemtic Name: 1-(2,5-dimethoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)benzimidazole-5-carboxamide Openeye Name: 1-(2,5-dimethoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)benzimidazole-5-carboxamide CAS Name: 1-(2,5-dimethoxyphenyl)-N-(3-pyridin-1-iumylmethyl)-5-benzimidazolecarboxamide IUPAC Name: 1-(2,5-dimethoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)benzimidazole-5-carboxamide Traditional Name: 1-(2,5-dimethoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)benzimidazole-5-carboxamide Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C=NC3=C2C=CC(=C3)C(=O)NCC4=C[NH+]=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C=NC3=C2C=CC(=C3)C(=O)NCC4=C[NH+]=CC=C4

InChI

InChI=1S/C22H20N4O3/c1-28-17-6-8-21(29-2)20(11-17)26-14-25-18-10-16(5-7-19(18)26)22(27)24-13-15-4-3-9-23-12-15/h3-12,14H,13H2,1-2H3,(H,24,27)/p+1