2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium; perchloryloxidanium

Systemtic Name: 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium; perchloryloxidanium Openeye Name: 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium; perchloryloxonium CAS Name: 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium; perchloryloxonium IUPAC Name: 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium; perchloryloxidanium Traditional Name: 2-(4-methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium; perchloryloxonium Formula: C21H20ClN5O7+2 MolecularWeight: 489.8658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-].[OH2+]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-].[OH2+]Cl(=O)(=O)=O

InChI

InChI=1S/C21H18N5O3.ClHO4/c1-29-20-13-11-18(12-14-20)25-15-24(17-5-3-2-4-6-17)22-21(23-25)16-7-9-19(10-8-16)26(27)28;2-1(3,4)5/h2-14H,15H2,1H3;(H,2,3,4,5)/q+1;/p+1