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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-hexadecyl-dimethyl-azanium Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)propyl-hexadecyl-dimethyl-ammonium CAS Name: 3-(1,3-dioxo-2-isoindolyl)propyl-hexadecyl-dimethylammonium IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)propyl-hexadecyl-dimethylazanium Traditional Name: cetyl-dimethyl-(3-phthalimidopropyl)ammonium Formula: C29H49N2O2+ MolecularWeight: 457.71156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C29H49N2O2/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/h17-18,21-22H,4-16,19-20,23-25H2,1-3H3/q+1