[4-(4-fluorophenyl)-1-oxidanylidene-2-propan-2-yl-isoquinolin-3-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-(4-fluorophenyl)-1-oxidanylidene-2-propan-2-yl-isoquinolin-3-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-(4-fluorophenyl)-2-isopropyl-1-oxo-3-isoquinolyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3-isoquinolinyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-(4-fluorophenyl)-1-oxo-2-propan-2-ylisoquinolin-3-yl]methyl-triphenylphosphanium bromide Traditional Name: [4-(4-fluorophenyl)-2-isopropyl-1-keto-3-isoquinolyl]methyl-triphenyl-phosphonium bromide Formula: C37H32BrFNOP MolecularWeight: 636.532244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

CC(C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C37H32FNOP.BrH/c1-27(2)39-35(36(28-22-24-29(38)25-23-28)33-20-12-13-21-34(33)37(39)40)26-41(30-14-6-3-7-15-30,31-16-8-4-9-17-31)32-18-10-5-11-19-32;/h3-25,27H,26H2,1-2H3;1H/q+1;/p-1