[5-azanyl-3-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-4-yl]-triphenyl-phosphanium chloride

Systemtic Name: [5-azanyl-3-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-4-yl]-triphenyl-phosphanium chloride Openeye Name: (5-amino-1-benzyl-3-oxo-2H-pyrrol-4-yl)-triphenyl-phosphonium chloride CAS Name: [5-amino-3-oxo-1-(phenylmethyl)-2H-pyrrol-4-yl]-triphenylphosphonium chloride IUPAC Name: (5-amino-1-benzyl-3-oxo-2H-pyrrol-4-yl)-triphenylphosphanium chloride Traditional Name: (2-amino-1-benzyl-4-keto-2-pyrrolin-3-yl)-triphenyl-phosphonium chloride Formula: C29H26ClN2OP MolecularWeight: 484.956301

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1CC2=CC=CC=C2)N)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1C(=O)C(=C(N1CC2=CC=CC=C2)N)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C29H25N2OP.ClH/c30-29-28(27(32)22-31(29)21-23-13-5-1-6-14-23)33(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2,(H-,30,32);1H