6-(4-chlorophenyl)-1-methyl-1-(1,2,4-triazol-1-ylmethyl)benzotriazol-1-ium

Systemtic Name: 6-(4-chlorophenyl)-1-methyl-1-(1,2,4-triazol-1-ylmethyl)benzotriazol-1-ium Openeye Name: 6-(4-chlorophenyl)-1-methyl-1-(1,2,4-triazol-1-ylmethyl)benzotriazol-1-ium CAS Name: 6-(4-chlorophenyl)-1-methyl-1-(1,2,4-triazol-1-ylmethyl)benzotriazol-1-ium IUPAC Name: 6-(4-chlorophenyl)-1-methyl-1-(1,2,4-triazol-1-ylmethyl)benzotriazol-1-ium Traditional Name: 6-(4-chlorophenyl)-1-methyl-1-(1,2,4-triazol-1-ylmethyl)benzotriazol-1-ium Formula: C16H14ClN6+ MolecularWeight: 325.77556

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C=CC(=C2)C3=CC=C(C=C3)Cl)N=N1)CN4C=NC=N4

Isomeric SMILES

C[N+]1(C2=C(C=CC(=C2)C3=CC=C(C=C3)Cl)N=N1)CN4C=NC=N4

InChI

InChI=1S/C16H14ClN6/c1-23(11-22-10-18-9-19-22)16-8-13(4-7-15(16)20-21-23)12-2-5-14(17)6-3-12/h2-10H,11H2,1H3/q+1