4,5-bis(phenylmethyl)-2H-1,2,3-triazin-1-ium 1-oxide

Systemtic Name: 4,5-bis(phenylmethyl)-2H-1,2,3-triazin-1-ium 1-oxide Openeye Name: 4,5-dibenzyl-2H-triazin-1-ium 1-oxide CAS Name: 4,5-bis(phenylmethyl)-2H-triazin-1-ium 1-oxide IUPAC Name: 4,5-dibenzyl-2H-triazin-1-ium 1-oxide Traditional Name: 4,5-dibenzyl-2H-triazin-1-ium 1-oxide Formula: C17H16N3O+ MolecularWeight: 278.32844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+](=O)NN=C2CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+](=O)NN=C2CC3=CC=CC=C3

InChI

InChI=1S/C17H16N3O/c21-20-13-16(11-14-7-3-1-4-8-14)17(18-19-20)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,21)/q+1