2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate

Systemtic Name: 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate Openeye Name: 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate CAS Name: 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate IUPAC Name: 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate Traditional Name: 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate Formula: C20H17ClN4O4 MolecularWeight: 412.82638

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Descriptors Computed from Structure

Canonical SMILES:

C1N(N=C(N=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1N(N=C(N=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H17N4.ClHO4/c1-4-10-17(11-5-1)20-21-23(18-12-6-2-7-13-18)16-24(22-20)19-14-8-3-9-15-19;2-1(3,4)5/h1-15H,16H2;(H,2,3,4,5)/q+1;/p-1