1-[2-(2-phenoxyphenyl)hexyl]-1H-1,2,4-triazol-1-ium chloride

Systemtic Name: 1-[2-(2-phenoxyphenyl)hexyl]-1H-1,2,4-triazol-1-ium chloride Openeye Name: 1-[2-(2-phenoxyphenyl)hexyl]-1H-1,2,4-triazol-1-ium chloride CAS Name: 1-[2-(2-phenoxyphenyl)hexyl]-1H-1,2,4-triazol-1-ium chloride IUPAC Name: 1-[2-(2-phenoxyphenyl)hexyl]-1H-1,2,4-triazol-1-ium chloride Traditional Name: 1-[2-(2-phenoxyphenyl)hexyl]-1H-1,2,4-triazol-1-ium chloride Formula: C20H24ClN3O MolecularWeight: 357.87706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C[NH+]1C=NC=N1)C2=CC=CC=C2OC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCCC(C[NH+]1C=NC=N1)C2=CC=CC=C2OC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H23N3O.ClH/c1-2-3-9-17(14-23-16-21-15-22-23)19-12-7-8-13-20(19)24-18-10-5-4-6-11-18;/h4-8,10-13,15-17H,2-3,9,14H2,1H3;1H