6-(4-chlorophenyl)-6-(4,4-dimethyl-3H-1,2,4-triazol-4-ium-2-yl)hexan-3-ol

Systemtic Name: 6-(4-chlorophenyl)-6-(4,4-dimethyl-3H-1,2,4-triazol-4-ium-2-yl)hexan-3-ol Openeye Name: 6-(4-chlorophenyl)-6-(4,4-dimethyl-3H-1,2,4-triazol-4-ium-2-yl)hexan-3-ol CAS Name: 6-(4-chlorophenyl)-6-(4,4-dimethyl-3H-1,2,4-triazol-4-ium-2-yl)-3-hexanol IUPAC Name: 6-(4-chlorophenyl)-6-(4,4-dimethyl-3H-1,2,4-triazol-4-ium-2-yl)hexan-3-ol Traditional Name: 6-(4-chlorophenyl)-6-(4,4-dimethyl-3H-1,2,4-triazol-4-ium-2-yl)hexan-3-ol Formula: C16H25ClN3O+ MolecularWeight: 310.8422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C1=CC=C(C=C1)Cl)N2C[N+](C=N2)(C)C)O

Isomeric SMILES

CCC(CCC(C1=CC=C(C=C1)Cl)N2C[N+](C=N2)(C)C)O

InChI

InChI=1S/C16H25ClN3O/c1-4-15(21)9-10-16(13-5-7-14(17)8-6-13)19-12-20(2,3)11-18-19/h5-8,11,15-16,21H,4,9-10,12H2,1-3H3/q+1