1-(4-phenylmethoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)benzimidazole-5-carboxamide

Systemtic Name: 1-(4-phenylmethoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)benzimidazole-5-carboxamide Openeye Name: 1-(4-benzyloxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)benzimidazole-5-carboxamide CAS Name: 1-(4-phenylmethoxyphenyl)-N-(3-pyridin-1-iumylmethyl)-5-benzimidazolecarboxamide IUPAC Name: 1-(4-phenylmethoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)benzimidazole-5-carboxamide Traditional Name: 1-(4-benzoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)benzimidazole-5-carboxamide Formula: C27H23N4O2+ MolecularWeight: 435.49712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C=NC4=C3C=CC(=C4)C(=O)NCC5=C[NH+]=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C=NC4=C3C=CC(=C4)C(=O)NCC5=C[NH+]=CC=C5

InChI

InChI=1S/C27H22N4O2/c32-27(29-17-21-7-4-14-28-16-21)22-8-13-26-25(15-22)30-19-31(26)23-9-11-24(12-10-23)33-18-20-5-2-1-3-6-20/h1-16,19H,17-18H2,(H,29,32)/p+1