2-[1-tert-butyl-3-[2-(4-chlorophenyl)ethyl]-1,2,4-triazol-1-ium-1-yl]ethanol

Systemtic Name: 2-[1-tert-butyl-3-[2-(4-chlorophenyl)ethyl]-1,2,4-triazol-1-ium-1-yl]ethanol Openeye Name: 2-[1-tert-butyl-3-[2-(4-chlorophenyl)ethyl]-1,2,4-triazol-1-ium-1-yl]ethanol CAS Name: 2-[1-tert-butyl-3-[2-(4-chlorophenyl)ethyl]-1,2,4-triazol-1-ium-1-yl]ethanol IUPAC Name: 2-[1-tert-butyl-3-[2-(4-chlorophenyl)ethyl]-1,2,4-triazol-1-ium-1-yl]ethanol Traditional Name: 2-[1-tert-butyl-3-[2-(4-chlorophenyl)ethyl]-1,2,4-triazol-1-ium-1-yl]ethanol Formula: C16H23ClN3O+ MolecularWeight: 308.82632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(C=NC(=N1)CCC2=CC=C(C=C2)Cl)CCO

Isomeric SMILES

CC(C)(C)[N+]1(C=NC(=N1)CCC2=CC=C(C=C2)Cl)CCO

InChI

InChI=1S/C16H23ClN3O/c1-16(2,3)20(10-11-21)12-18-15(19-20)9-6-13-4-7-14(17)8-5-13/h4-5,7-8,12,21H,6,9-11H2,1-3H3/q+1