1,4-dimethyl-3,5,6-triphenyl-5H-1,2,4-triazin-1-ium iodide

Systemtic Name: 1,4-dimethyl-3,5,6-triphenyl-5H-1,2,4-triazin-1-ium iodide Openeye Name: 1,4-dimethyl-3,5,6-triphenyl-5H-1,2,4-triazin-1-ium iodide CAS Name: 1,4-dimethyl-3,5,6-triphenyl-5H-1,2,4-triazin-1-ium iodide IUPAC Name: 1,4-dimethyl-3,5,6-triphenyl-5H-1,2,4-triazin-1-ium iodide Traditional Name: 1,4-dimethyl-3,5,6-triphenyl-5H-1,2,4-triazin-1-ium iodide Formula: C23H22IN3 MolecularWeight: 467.34535

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=[N+](N=C1C2=CC=CC=C2)C)C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CN1C(C(=[N+](N=C1C2=CC=CC=C2)C)C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C23H22N3.HI/c1-25-21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)26(2)24-23(25)20-16-10-5-11-17-20;/h3-17,21H,1-2H3;1H/q+1;/p-1