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

Systemtic Name: 2-(4-methoxyphenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-2-ium chloride Openeye Name: 5-(4-benzyloxyphenyl)-2-(4-methoxyphenyl)-3-phenyl-tetrazol-2-ium chloride CAS Name: 2-(4-methoxyphenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-2-ium chloride IUPAC Name: 2-(4-methoxyphenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-2-ium chloride Traditional Name: 5-(4-benzoxyphenyl)-2-(4-methoxyphenyl)-3-phenyl-tetrazol-2-ium chloride Formula: C27H23ClN4O2 MolecularWeight: 470.95012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C27H23N4O2.ClH/c1-32-25-18-14-24(15-19-25)31-29-27(28-30(31)23-10-6-3-7-11-23)22-12-16-26(17-13-22)33-20-21-8-4-2-5-9-21;/h2-19H,20H2,1H3;1H/q+1;/p-1