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

Systemtic Name: [4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinazolin-2-yl]methyl-triphenyl-phosphanium chloride Openeye Name: [4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinazolin-2-yl]methyl-triphenyl-phosphonium chloride CAS Name: [4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-quinazolinyl]methyl-triphenylphosphonium chloride IUPAC Name: [4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride Traditional Name: [4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinazolin-2-yl]methyl-triphenyl-phosphonium chloride Formula: C37H34ClN2O4P MolecularWeight: 637.103621

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC.[Cl-]

InChI

InChI=1S/C37H34N2O4P.ClH/c1-40-32-21-20-26(22-33(32)41-2)37-30-23-34(42-3)35(43-4)24-31(30)38-36(39-37)25-44(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29;/h5-24H,25H2,1-4H3;1H/q+1;/p-1