[4-chloranyl-2-(3,4-dimethylpyrrol-1-yl)phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-chloranyl-2-(3,4-dimethylpyrrol-1-yl)phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-chloro-2-(3,4-dimethylpyrrol-1-yl)phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-chloro-2-(3,4-dimethyl-1-pyrrolyl)phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-chloro-2-(3,4-dimethylpyrrol-1-yl)phenyl]methyl-triphenylphosphanium bromide Traditional Name: [4-chloro-2-(3,4-dimethylpyrrol-1-yl)benzyl]-triphenyl-phosphonium bromide Formula: C31H28BrClNP MolecularWeight: 560.891481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=C1C)C2=C(C=CC(=C2)Cl)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=CN(C=C1C)C2=C(C=CC(=C2)Cl)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C31H28ClNP.BrH/c1-24-21-33(22-25(24)2)31-20-27(32)19-18-26(31)23-34(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30;/h3-22H,23H2,1-2H3;1H/q+1;/p-1