3,5-bis(2-chlorophenyl)-1,4-dimethyl-1,2,4-triazol-4-ium; methyl sulfate

Systemtic Name: 3,5-bis(2-chlorophenyl)-1,4-dimethyl-1,2,4-triazol-4-ium; methyl sulfate Openeye Name: 3,5-bis(2-chlorophenyl)-1,4-dimethyl-1,2,4-triazol-4-ium; methyl sulfate CAS Name: 3,5-bis(2-chlorophenyl)-1,4-dimethyl-1,2,4-triazol-4-ium; methyl sulfate IUPAC Name: 3,5-bis(2-chlorophenyl)-1,4-dimethyl-1,2,4-triazol-4-ium; methyl sulfate Traditional Name: 3,5-bis(2-chlorophenyl)-1,4-dimethyl-1,2,4-triazol-4-ium; methyl sulfate Formula: C17H17Cl2N3O4S MolecularWeight: 430.30558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=[N+](C(=N1)C2=CC=CC=C2Cl)C)C3=CC=CC=C3Cl.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C(=[N+](C(=N1)C2=CC=CC=C2Cl)C)C3=CC=CC=C3Cl.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H14Cl2N3.CH4O4S/c1-20-15(11-7-3-5-9-13(11)17)19-21(2)16(20)12-8-4-6-10-14(12)18;1-5-6(2,3)4/h3-10H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1