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

Systemtic Name: 2-(4-bromophenyl)-5-(4-methoxyphenyl)-3-phenyl-1,2,3,4-tetrazol-2-ium chloride Openeye Name: 2-(4-bromophenyl)-5-(4-methoxyphenyl)-3-phenyl-tetrazol-2-ium chloride CAS Name: 2-(4-bromophenyl)-5-(4-methoxyphenyl)-3-phenyltetrazol-2-ium chloride IUPAC Name: 2-(4-bromophenyl)-5-(4-methoxyphenyl)-3-phenyltetrazol-2-ium chloride Traditional Name: 2-(4-bromophenyl)-5-(4-methoxyphenyl)-3-phenyl-tetrazol-2-ium chloride Formula: C20H16BrClN4O MolecularWeight: 443.72424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C20H16BrN4O.ClH/c1-26-19-13-7-15(8-14-19)20-22-24(17-5-3-2-4-6-17)25(23-20)18-11-9-16(21)10-12-18;/h2-14H,1H3;1H/q+1;/p-1