dimethylamino-dodecyl-(2-methylidenehexanoylamino)azanium chloride

Systemtic Name: dimethylamino-dodecyl-(2-methylidenehexanoylamino)azanium chloride Openeye Name: dimethylamino-dodecyl-(2-methylenehexanoylamino)ammonium chloride CAS Name: dimethylamino-dodecyl-[(2-methylene-1-oxohexyl)amino]ammonium chloride IUPAC Name: dimethylamino-dodecyl-(2-methylidenehexanoylamino)azanium chloride Traditional Name: [(2-butylacryloyl)amino]-(dimethylamino)-lauryl-ammonium chloride Formula: C21H44ClN3O MolecularWeight: 390.04656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH+](NC(=O)C(=C)CCCC)N(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[NH+](NC(=O)C(=C)CCCC)N(C)C.[Cl-]

InChI

InChI=1S/C21H43N3O.ClH/c1-6-8-10-11-12-13-14-15-16-17-19-24(23(4)5)22-21(25)20(3)18-9-7-2;/h3,6-19H2,1-2,4-5H3,(H,22,25);1H