[2-(3-chloranylpropanoylamino)phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [2-(3-chloranylpropanoylamino)phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-(3-chloropropanoylamino)phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [2-[(3-chloro-1-oxopropyl)amino]phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [2-(3-chloropropanoylamino)phenyl]methyl-triphenylphosphanium bromide Traditional Name: [2-(3-chloropropanoylamino)benzyl]-triphenyl-phosphonium bromide Formula: C28H26BrClNOP MolecularWeight: 538.842901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC=CC=C2NC(=O)CCCl)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC=CC=C2NC(=O)CCCl)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H25ClNOP.BrH/c29-21-20-28(31)30-27-19-11-10-12-23(27)22-32(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26;/h1-19H,20-22H2;1H