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

Systemtic Name: 1-tert-butyl-4-(4-chlorophenyl)-3-phenyl-1,2,4-triazol-4-ium Openeye Name: 1-tert-butyl-4-(4-chlorophenyl)-3-phenyl-1,2,4-triazol-4-ium CAS Name: 1-tert-butyl-4-(4-chlorophenyl)-3-phenyl-1,2,4-triazol-4-ium IUPAC Name: 1-tert-butyl-4-(4-chlorophenyl)-3-phenyl-1,2,4-triazol-4-ium Traditional Name: 1-tert-butyl-4-(4-chlorophenyl)-3-phenyl-1,2,4-triazol-4-ium Formula: C18H19ClN3+ MolecularWeight: 312.81656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN3/c1-18(2,3)22-13-21(16-11-9-15(19)10-12-16)17(20-22)14-7-5-4-6-8-14/h4-13H,1-3H3/q+1