(4-acetamidophenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-acetamidophenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-acetamidophenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-acetamidophenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-acetamidophenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-acetamidobenzyl)-triphenyl-phosphonium bromide Formula: C27H25BrNOP MolecularWeight: 490.371261

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H24NOP.BrH/c1-22(29)28-24-19-17-23(18-20-24)21-30(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;/h2-20H,21H2,1H3;1H