[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-6,7-dimethoxy-quinolin-2-yl]methyl-triphenyl-phosphanium chloride

Systemtic Name: [4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-6,7-dimethoxy-quinolin-2-yl]methyl-triphenyl-phosphanium chloride Openeye Name: [4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-6,7-dimethoxy-2-quinolyl]methyl-triphenyl-phosphonium chloride CAS Name: [4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-6,7-dimethoxy-2-quinolinyl]methyl-triphenylphosphonium chloride IUPAC Name: [4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-6,7-dimethoxyquinolin-2-yl]methyl-triphenylphosphanium chloride Traditional Name: [3-carbethoxy-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-quinolyl]methyl-triphenyl-phosphonium chloride Formula: C41H39ClNO6P MolecularWeight: 708.178221

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC)OC)C6=CC(=C(C=C6)OC)OC.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC)OC)C6=CC(=C(C=C6)OC)OC.[Cl-]

InChI

InChI=1S/C41H39NO6P.ClH/c1-6-48-41(43)40-34(27-49(29-16-10-7-11-17-29,30-18-12-8-13-19-30)31-20-14-9-15-21-31)42-33-26-38(47-5)37(46-4)25-32(33)39(40)28-22-23-35(44-2)36(24-28)45-3;/h7-26H,6,27H2,1-5H3;1H/q+1;/p-1