N-[4-(1H-benzimidazol-3-ium-2-yl)phenyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[4-(1H-benzimidazol-3-ium-2-yl)phenyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[4-(1H-benzimidazol-3-ium-2-yl)phenyl]-3,4,5-triethoxy-benzamide CAS Name: N-[4-(1H-benzimidazol-3-ium-2-yl)phenyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[4-(1H-benzimidazol-3-ium-2-yl)phenyl]-3,4,5-triethoxybenzamide Traditional Name: N-[4-(1H-benzimidazol-3-ium-2-yl)phenyl]-3,4,5-triethoxy-benzamide Formula: C26H28N3O4+ MolecularWeight: 446.51822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC=C(C=C2)C3=[NH+]C4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC=C(C=C2)C3=[NH+]C4=CC=CC=C4N3

InChI

InChI=1S/C26H27N3O4/c1-4-31-22-15-18(16-23(32-5-2)24(22)33-6-3)26(30)27-19-13-11-17(12-14-19)25-28-20-9-7-8-10-21(20)29-25/h7-16H,4-6H2,1-3H3,(H,27,30)(H,28,29)/p+1