1-tert-butyl-4-(4-methylphenyl)-3-phenyl-1,2,4-triazol-4-ium perchlorate

Systemtic Name: 1-tert-butyl-4-(4-methylphenyl)-3-phenyl-1,2,4-triazol-4-ium perchlorate Openeye Name: 1-tert-butyl-3-phenyl-4-(p-tolyl)-1,2,4-triazol-4-ium perchlorate CAS Name: 1-tert-butyl-4-(4-methylphenyl)-3-phenyl-1,2,4-triazol-4-ium perchlorate IUPAC Name: 1-tert-butyl-4-(4-methylphenyl)-3-phenyl-1,2,4-triazol-4-ium perchlorate Traditional Name: 1-tert-butyl-3-phenyl-4-(p-tolyl)-1,2,4-triazol-4-ium perchlorate Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=CN(N=C2C3=CC=CC=C3)C(C)(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=CN(N=C2C3=CC=CC=C3)C(C)(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H22N3.ClHO4/c1-15-10-12-17(13-11-15)21-14-22(19(2,3)4)20-18(21)16-8-6-5-7-9-16;2-1(3,4)5/h5-14H,1-4H3;(H,2,3,4,5)/q+1;/p-1