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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-hexadecyl-dimethyl-azanium tetrafluoroborate Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)propyl-hexadecyl-dimethyl-ammonium tetrafluoroborate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propyl-hexadecyl-dimethylammonium tetrafluoroborate IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)propyl-hexadecyl-dimethylazanium tetrafluoroborate Traditional Name: cetyl-dimethyl-(3-phthalimidopropyl)ammonium tetrafluoroborate Formula: C29H49BF4N2O2 MolecularWeight: 544.516173

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C29H49N2O2.BF4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-31(2,3)25-20-23-30-28(32)26-21-17-18-22-27(26)29(30)33;2-1(3,4)5/h17-18,21-22H,4-16,19-20,23-25H2,1-3H3;/q+1;-1