3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-dimethyl-(3-phenylpropyl)azanium bromide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-dimethyl-(3-phenylpropyl)azanium bromide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)propyl-dimethyl-(3-phenylpropyl)ammonium bromide CAS Name: 3-(1,3-dioxo-2-isoindolyl)propyl-dimethyl-(3-phenylpropyl)ammonium bromide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-(3-phenylpropyl)azanium bromide Traditional Name: dimethyl-(3-phenylpropyl)-(3-phthalimidopropyl)ammonium bromide Formula: C22H27BrN2O2 MolecularWeight: 431.36598

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCC1=CC=CC=C1)CCCN2C(=O)C3=CC=CC=C3C2=O.[Br-]

Isomeric SMILES

C[N+](C)(CCCC1=CC=CC=C1)CCCN2C(=O)C3=CC=CC=C3C2=O.[Br-]

InChI

InChI=1S/C22H27N2O2.BrH/c1-24(2,16-8-12-18-10-4-3-5-11-18)17-9-15-23-21(25)19-13-6-7-14-20(19)22(23)26;/h3-7,10-11,13-14H,8-9,12,15-17H2,1-2H3;1H/q+1;/p-1