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

Systemtic Name: [4-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-ethoxycarbonyl-quinolin-2-yl]methyl-triphenyl-phosphanium chloride Openeye Name: [4-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-ethoxycarbonyl-2-quinolyl]methyl-triphenyl-phosphonium chloride CAS Name: [4-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-ethoxycarbonyl-2-quinolinyl]methyl-triphenylphosphonium chloride IUPAC Name: [4-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-ethoxycarbonylquinolin-2-yl]methyl-triphenylphosphanium chloride Traditional Name: [3-carbethoxy-4-(3,4-dimethoxyphenyl)-6,7-diethoxy-2-quinolyl]methyl-triphenyl-phosphonium chloride Formula: C43H43ClNO6P MolecularWeight: 736.231381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C(=N2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OCC)C6=CC(=C(C=C6)OC)OC)OCC.[Cl-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C(=N2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OCC)C6=CC(=C(C=C6)OC)OC)OCC.[Cl-]

InChI

InChI=1S/C43H43NO6P.ClH/c1-6-48-39-27-34-35(28-40(39)49-7-2)44-36(42(43(45)50-8-3)41(34)30-24-25-37(46-4)38(26-30)47-5)29-51(31-18-12-9-13-19-31,32-20-14-10-15-21-32)33-22-16-11-17-23-33;/h9-28H,6-8,29H2,1-5H3;1H/q+1;/p-1