3-[ethanoyl(3-sulfopropyl)amino]propyl-dimethyl-octadecyl-azanium

Systemtic Name: 3-[ethanoyl(3-sulfopropyl)amino]propyl-dimethyl-octadecyl-azanium Openeye Name: 3-[acetyl(3-sulfopropyl)amino]propyl-dimethyl-octadecyl-ammonium CAS Name: 3-[acetyl(3-sulfopropyl)amino]propyl-dimethyl-octadecylammonium IUPAC Name: 3-[acetyl(3-sulfopropyl)amino]propyl-dimethyl-octadecylazanium Traditional Name: 3-[acetyl(3-sulfopropyl)amino]propyl-dimethyl-stearyl-ammonium Formula: C28H59N2O4S+ MolecularWeight: 519.84406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCN(CCCS(=O)(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCN(CCCS(=O)(=O)O)C(=O)C

InChI

InChI=1S/C28H58N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(3,4)26-21-23-29(28(2)31)24-22-27-35(32,33)34/h5-27H2,1-4H3/p+1