[2-(naphthalen-2-yloxymethyl)-3H-benzimidazol-1-ium-5-yl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide

Systemtic Name: [2-(naphthalen-2-yloxymethyl)-3H-benzimidazol-1-ium-5-yl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide Openeye Name: [2-(2-naphthyloxymethyl)-3H-benzimidazol-1-ium-5-yl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide CAS Name: [2-(2-naphthalenyloxymethyl)-3H-benzimidazol-1-ium-5-yl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide IUPAC Name: [2-(naphthalen-2-yloxymethyl)-3H-benzimidazol-1-ium-5-yl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide Traditional Name: [2-(2-naphthoxymethyl)-3H-benzimidazol-1-ium-5-yl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide Formula: C25H18F3N3O3S MolecularWeight: 497.48893

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCC3=[NH+]C4=C(N3)C=C(C=C4)S(=O)(=O)[N-]C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCC3=[NH+]C4=C(N3)C=C(C=C4)S(=O)(=O)[N-]C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C25H17F3N3O3S/c26-25(27,28)18-6-3-7-19(13-18)31-35(32,33)21-10-11-22-23(14-21)30-24(29-22)15-34-20-9-8-16-4-1-2-5-17(16)12-20/h1-14H,15H2,(H,29,30)/q-1/p+1