[3-bromanyl-2-(1-ethoxycarbonylpiperidin-4-yl)carbonyloxy-5-methoxy-phenyl]methyl-triphenyl-phosphanium chloride

Systemtic Name: [3-bromanyl-2-(1-ethoxycarbonylpiperidin-4-yl)carbonyloxy-5-methoxy-phenyl]methyl-triphenyl-phosphanium chloride Openeye Name: [3-bromo-2-(1-ethoxycarbonylpiperidine-4-carbonyl)oxy-5-methoxy-phenyl]methyl-triphenyl-phosphonium chloride CAS Name: [3-bromo-2-[(1-ethoxycarbonyl-4-piperidinyl)-oxomethoxy]-5-methoxyphenyl]methyl-triphenylphosphonium chloride IUPAC Name: [3-bromo-2-(1-ethoxycarbonylpiperidine-4-carbonyl)oxy-5-methoxyphenyl]methyl-triphenylphosphanium chloride Traditional Name: [3-bromo-2-(1-carbethoxyisonipecotoyl)oxy-5-methoxy-benzyl]-triphenyl-phosphonium chloride Formula: C35H36BrClNO5P MolecularWeight: 696.994801

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C(=O)OC2=C(C=C(C=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC)Br.[Cl-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)OC2=C(C=C(C=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC)Br.[Cl-]

InChI

InChI=1S/C35H36BrNO5P.ClH/c1-3-41-35(39)37-21-19-26(20-22-37)34(38)42-33-27(23-28(40-2)24-32(33)36)25-43(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31;/h4-18,23-24,26H,3,19-22,25H2,1-2H3;1H/q+1;/p-1