[5-azanyl-3-oxidanylidene-2-(phenylmethyl)-2,4-dihydropyrrol-4-yl]-triphenyl-phosphanium bromide hydrate

Systemtic Name: [5-azanyl-3-oxidanylidene-2-(phenylmethyl)-2,4-dihydropyrrol-4-yl]-triphenyl-phosphanium bromide hydrate Openeye Name: (5-amino-2-benzyl-3-oxo-2,4-dihydropyrrol-4-yl)-triphenyl-phosphonium bromide hydrate CAS Name: [5-amino-3-oxo-2-(phenylmethyl)-2,4-dihydropyrrol-4-yl]-triphenylphosphonium bromide hydrate IUPAC Name: (5-amino-2-benzyl-3-oxo-2,4-dihydropyrrol-4-yl)-triphenylphosphanium bromide hydrate Traditional Name: (2-amino-5-benzyl-4-keto-1-pyrrolin-3-yl)-triphenyl-phosphonium bromide hydrate Formula: C29H28BrN2O2P MolecularWeight: 547.422581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)C(C(=N2)N)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)C(C(=N2)N)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.O.[Br-]

InChI

InChI=1S/C29H26N2OP.BrH.H2O/c30-29-28(27(32)26(31-29)21-22-13-5-1-6-14-22)33(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h1-20,26,28H,21H2,(H2,30,31);1H;1H2/q+1;;/p-1