dimethyl-[3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propyl]-octadecyl-azanium chloride

Systemtic Name: dimethyl-[3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propyl]-octadecyl-azanium chloride Openeye Name: [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-dimethyl-octadecyl-ammonium chloride CAS Name: [2-hydroxy-3-(2-methyl-1-oxoprop-2-enoxy)propyl]-dimethyl-octadecylammonium chloride IUPAC Name: [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-dimethyl-octadecylazanium chloride Traditional Name: (2-hydroxy-3-methacryloyloxy-propyl)-dimethyl-stearyl-ammonium chloride Formula: C27H54ClNO3 MolecularWeight: 476.17556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(COC(=O)C(=C)C)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(COC(=O)C(=C)C)O.[Cl-]

InChI

InChI=1S/C27H54NO3.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(4,5)23-26(29)24-31-27(30)25(2)3;/h26,29H,2,6-24H2,1,3-5H3;1H/q+1;/p-1