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

Systemtic Name: [3-ethoxycarbonyl-6,7-dimethoxy-4-(4-methoxyphenyl)quinolin-2-yl]methyl-triphenyl-phosphanium chloride Openeye Name: [3-ethoxycarbonyl-6,7-dimethoxy-4-(4-methoxyphenyl)-2-quinolyl]methyl-triphenyl-phosphonium chloride CAS Name: [3-ethoxycarbonyl-6,7-dimethoxy-4-(4-methoxyphenyl)-2-quinolinyl]methyl-triphenylphosphonium chloride IUPAC Name: [3-ethoxycarbonyl-6,7-dimethoxy-4-(4-methoxyphenyl)quinolin-2-yl]methyl-triphenylphosphanium chloride Traditional Name: [3-carbethoxy-6,7-dimethoxy-4-(4-methoxyphenyl)-2-quinolyl]methyl-triphenyl-phosphonium chloride Formula: C40H37ClNO5P MolecularWeight: 678.152241

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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.[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.[Cl-]

InChI

InChI=1S/C40H37NO5P.ClH/c1-5-46-40(42)39-35(27-47(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-19-13-8-14-20-32)41-34-26-37(45-4)36(44-3)25-33(34)38(39)28-21-23-29(43-2)24-22-28;/h6-26H,5,27H2,1-4H3;1H/q+1;/p-1