2,4,6-triphenyl-4H-1,3,4-oxadiazin-4-ium perchlorate

Systemtic Name: 2,4,6-triphenyl-4H-1,3,4-oxadiazin-4-ium perchlorate Openeye Name: 2,4,6-triphenyl-4H-1,3,4-oxadiazin-4-ium perchlorate CAS Name: 2,4,6-triphenyl-4H-1,3,4-oxadiazin-4-ium perchlorate IUPAC Name: 2,4,6-triphenyl-4H-1,3,4-oxadiazin-4-ium perchlorate Traditional Name: 2,4,6-triphenyl-4H-1,3,4-oxadiazin-4-ium perchlorate Formula: C21H17ClN2O5 MolecularWeight: 412.82308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C[NH+](N=C(O2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C[NH+](N=C(O2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H16N2O.ClHO4/c1-4-10-17(11-5-1)20-16-23(19-14-8-3-9-15-19)22-21(24-20)18-12-6-2-7-13-18;2-1(3,4)5/h1-16H;(H,2,3,4,5)