[3-[[5-(dimethylamino)-3-ethyl-2-methyl-6-oxidanylidene-1H-pyridin-4-yl]carbonyl]phenyl]methyl-triphenyl-phosphanium chloride

Systemtic Name: [3-[[5-(dimethylamino)-3-ethyl-2-methyl-6-oxidanylidene-1H-pyridin-4-yl]carbonyl]phenyl]methyl-triphenyl-phosphanium chloride Openeye Name: [3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl-triphenyl-phosphonium chloride CAS Name: [3-[[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridin-4-yl]-oxomethyl]phenyl]methyl-triphenylphosphonium chloride IUPAC Name: [3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl-triphenylphosphanium chloride Traditional Name: [3-[3-(dimethylamino)-5-ethyl-2-keto-6-methyl-1H-pyridine-4-carbonyl]benzyl]-triphenyl-phosphonium chloride Formula: C36H36ClN2O2P MolecularWeight: 595.110001

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N(C)C)C.[Cl-]

Isomeric SMILES

CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N(C)C)C.[Cl-]

InChI

InChI=1S/C36H35N2O2P.ClH/c1-5-32-26(2)37-36(40)34(38(3)4)33(32)35(39)28-17-15-16-27(24-28)25-41(29-18-9-6-10-19-29,30-20-11-7-12-21-30)31-22-13-8-14-23-31;/h6-24H,5,25H2,1-4H3;1H