2,5-diphenyl-3-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-3-ium chloride

Systemtic Name: 2,5-diphenyl-3-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-3-ium chloride Openeye Name: 2-(4-benzyloxyphenyl)-3,5-diphenyl-tetrazol-2-ium chloride CAS Name: 2,5-diphenyl-3-(4-phenylmethoxyphenyl)tetrazol-3-ium chloride IUPAC Name: 2,5-diphenyl-3-(4-phenylmethoxyphenyl)tetrazol-3-ium chloride Traditional Name: 2-(4-benzoxyphenyl)-3,5-diphenyl-tetrazol-2-ium chloride Formula: C26H21ClN4O MolecularWeight: 440.92414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C26H21N4O.ClH/c1-4-10-21(11-5-1)20-31-25-18-16-24(17-19-25)30-28-26(22-12-6-2-7-13-22)27-29(30)23-14-8-3-9-15-23;/h1-19H,20H2;1H/q+1;/p-1