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

Systemtic Name: 2-(3-bromophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-3-ium chloride Openeye Name: 5-(4-benzyloxyphenyl)-2-(3-bromophenyl)-3-phenyl-tetrazol-3-ium chloride CAS Name: 2-(3-bromophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-3-ium chloride IUPAC Name: 2-(3-bromophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-3-ium chloride Traditional Name: 5-(4-benzoxyphenyl)-2-(3-bromophenyl)-3-phenyl-tetrazol-3-ium chloride Formula: C26H20BrClN4O MolecularWeight: 519.8202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=CC=C4)C5=CC(=CC=C5)Br.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=CC=C4)C5=CC(=CC=C5)Br.[Cl-]

InChI

InChI=1S/C26H20BrN4O.ClH/c27-22-10-7-13-24(18-22)31-29-26(28-30(31)23-11-5-2-6-12-23)21-14-16-25(17-15-21)32-19-20-8-3-1-4-9-20;/h1-18H,19H2;1H/q+1;/p-1