5-bromanylpentyl-dimethyl-[3-[(3E)-1-oxidanylidene-3-(phenylmethylidene)isoindol-2-yl]propyl]azanium bromide

Systemtic Name: 5-bromanylpentyl-dimethyl-[3-[(3E)-1-oxidanylidene-3-(phenylmethylidene)isoindol-2-yl]propyl]azanium bromide Openeye Name: 3-[(1E)-1-benzylidene-3-oxo-isoindolin-2-yl]propyl-(5-bromopentyl)-dimethyl-ammonium bromide CAS Name: 5-bromopentyl-dimethyl-[3-[(3E)-1-oxo-3-(phenylmethylene)-2-isoindolyl]propyl]ammonium bromide IUPAC Name: 3-[(1E)-1-benzylidene-3-oxoisoindol-2-yl]propyl-(5-bromopentyl)-dimethylazanium bromide Traditional Name: 3-[(1E)-1-benzal-3-keto-isoindolin-2-yl]propyl-(5-bromopentyl)-dimethyl-ammonium bromide Formula: C25H32Br2N2O MolecularWeight: 536.34238

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCBr)CCCN1C(=CC2=CC=CC=C2)C3=CC=CC=C3C1=O.[Br-]

Isomeric SMILES

C[N+](C)(CCCCCBr)CCCN1/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3C1=O.[Br-]

InChI

InChI=1S/C25H32BrN2O.BrH/c1-28(2,18-10-4-9-16-26)19-11-17-27-24(20-21-12-5-3-6-13-21)22-14-7-8-15-23(22)25(27)29;/h3,5-8,12-15,20H,4,9-11,16-19H2,1-2H3;1H/q+1;/p-1/b24-20+;