(5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-triphenyl-phosphanium bromide

Systemtic Name: (5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-triphenyl-phosphanium bromide Openeye Name: (5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-triphenyl-phosphonium bromide CAS Name: (5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-triphenylphosphonium bromide IUPAC Name: (5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-triphenylphosphanium bromide Traditional Name: (5-methyl-2-pyrazolin-3-yl)-triphenyl-phosphonium bromide Formula: C22H22BrN2P MolecularWeight: 425.301241

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NN1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1CC(=NN1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H22N2P.BrH/c1-18-17-22(24-23-18)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16,18,23H,17H2,1H3;1H/q+1;/p-1