1,4-bis(phenylmethyl)-1,2,4-triazol-4-ium chloride

Systemtic Name: 1,4-bis(phenylmethyl)-1,2,4-triazol-4-ium chloride Openeye Name: 1,4-dibenzyl-1,2,4-triazol-4-ium chloride CAS Name: 1,4-bis(phenylmethyl)-1,2,4-triazol-4-ium chloride IUPAC Name: 1,4-dibenzyl-1,2,4-triazol-4-ium chloride Traditional Name: 1,4-dibenzyl-1,2,4-triazol-4-ium chloride Formula: C16H16ClN3 MolecularWeight: 285.77134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=[N+](C=N2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=[N+](C=N2)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H16N3.ClH/c1-3-7-15(8-4-1)11-18-13-17-19(14-18)12-16-9-5-2-6-10-16;/h1-10,13-14H,11-12H2;1H/q+1;/p-1