(1,4-diphenyl-1,2,4-triazolidin-3-ylidene)-methyl-phenyl-azanium iodide

Systemtic Name: (1,4-diphenyl-1,2,4-triazolidin-3-ylidene)-methyl-phenyl-azanium iodide Openeye Name: (1,4-diphenyl-1,2,4-triazolidin-3-ylidene)-methyl-phenyl-ammonium iodide CAS Name: (1,4-diphenyl-1,2,4-triazolidin-3-ylidene)-methyl-phenylammonium iodide IUPAC Name: (1,4-diphenyl-1,2,4-triazolidin-3-ylidene)-methyl-phenylazanium iodide Traditional Name: (1,4-diphenyl-1,2,4-triazolidin-3-ylidene)-methyl-phenyl-ammonium iodide Formula: C21H21IN4 MolecularWeight: 456.32271

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1NN(CN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+](=C1NN(CN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C21H20N4.HI/c1-23(18-11-5-2-6-12-18)21-22-25(20-15-9-4-10-16-20)17-24(21)19-13-7-3-8-14-19;/h2-16H,17H2,1H3;1H