[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl-triphenyl-phosphanium chloride

Systemtic Name: [3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl-triphenyl-phosphanium chloride Openeye Name: [3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl-triphenyl-phosphonium chloride CAS Name: [3-(3-bromophenyl)-1-phenyl-4-pyrazolyl]methyl-triphenylphosphonium chloride IUPAC Name: [3-(3-bromophenyl)-1-phenylpyrazol-4-yl]methyl-triphenylphosphanium chloride Traditional Name: [3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl-triphenyl-phosphonium chloride Formula: C34H27BrClN2P MolecularWeight: 609.922341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)Br)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)Br)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C34H27BrN2P.ClH/c35-29-15-13-14-27(24-29)34-28(25-37(36-34)30-16-5-1-6-17-30)26-38(31-18-7-2-8-19-31,32-20-9-3-10-21-32)33-22-11-4-12-23-33;/h1-25H,26H2;1H/q+1;/p-1