1-[(4-chlorophenyl)methyl]-5-methyl-4-oxidanidyl-3-phenyl-1,2,4-triazol-4-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-5-methyl-4-oxidanidyl-3-phenyl-1,2,4-triazol-4-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-5-methyl-4-oxido-3-phenyl-1,2,4-triazol-4-ium CAS Name: 1-[(4-chlorophenyl)methyl]-5-methyl-4-oxido-3-phenyl-1,2,4-triazol-4-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-5-methyl-4-oxido-3-phenyl-1,2,4-triazol-4-ium Traditional Name: 1-(4-chlorobenzyl)-5-methyl-4-oxido-3-phenyl-1,2,4-triazol-4-ium Formula: C16H14ClN3O MolecularWeight: 299.75486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1CC2=CC=C(C=C2)Cl)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=[N+](C(=NN1CC2=CC=C(C=C2)Cl)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H14ClN3O/c1-12-19(11-13-7-9-15(17)10-8-13)18-16(20(12)21)14-5-3-2-4-6-14/h2-10H,11H2,1H3