(5-azanyl-2-methyl-3-oxidanylidene-2,4-dihydropyrrol-4-yl)-triphenyl-phosphanium bromide

Systemtic Name: (5-azanyl-2-methyl-3-oxidanylidene-2,4-dihydropyrrol-4-yl)-triphenyl-phosphanium bromide Openeye Name: (5-amino-2-methyl-3-oxo-2,4-dihydropyrrol-4-yl)-triphenyl-phosphonium bromide CAS Name: (5-amino-2-methyl-3-oxo-2,4-dihydropyrrol-4-yl)-triphenylphosphonium bromide IUPAC Name: (5-amino-2-methyl-3-oxo-2,4-dihydropyrrol-4-yl)-triphenylphosphanium bromide Traditional Name: (2-amino-4-keto-5-methyl-1-pyrrolin-3-yl)-triphenyl-phosphonium bromide Formula: C23H22BrN2OP MolecularWeight: 453.311341

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(C(=N1)N)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1C(=O)C(C(=N1)N)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H22N2OP.BrH/c1-17-21(26)22(23(24)25-17)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-17,22H,1H3,(H2,24,25);1H/q+1;/p-1