4,5-dihydro-3H-pyrazol-4-yl(triphenyl)phosphanium bromide

Systemtic Name: 4,5-dihydro-3H-pyrazol-4-yl(triphenyl)phosphanium bromide Openeye Name: 4,5-dihydro-3H-pyrazol-4-yl(triphenyl)phosphonium bromide CAS Name: 4,5-dihydro-3H-pyrazol-4-yl(triphenyl)phosphonium bromide IUPAC Name: 4,5-dihydro-3H-pyrazol-4-yl(triphenyl)phosphanium bromide Traditional Name: triphenyl(1-pyrazolin-4-yl)phosphonium bromide Formula: C21H20BrN2P MolecularWeight: 411.274661

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN=N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1C(CN=N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H20N2P.BrH/c1-4-10-18(11-5-1)24(21-16-22-23-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1