(2-azanyl-6-methoxycarbonyl-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2-azanyl-6-methoxycarbonyl-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-amino-6-methoxycarbonyl-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2-amino-6-methoxycarbonylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2-amino-6-methoxycarbonylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (2-amino-6-carbomethoxy-benzyl)-triphenyl-phosphonium bromide Formula: C27H25BrNO2P MolecularWeight: 506.370661

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)N)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)N)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H25NO2P.BrH/c1-30-27(29)24-18-11-19-26(28)25(24)20-31(21-12-5-2-6-13-21,22-14-7-3-8-15-22)23-16-9-4-10-17-23;/h2-19H,20,28H2,1H3;1H/q+1;/p-1