dodecyl-dimethyl-[2-oxidanylidene-2-[(E)-3-phenylprop-2-enoxy]ethyl]azanium chloride

Systemtic Name: dodecyl-dimethyl-[2-oxidanylidene-2-[(E)-3-phenylprop-2-enoxy]ethyl]azanium chloride Openeye Name: [2-[(E)-cinnamyl]oxy-2-oxo-ethyl]-dodecyl-dimethyl-ammonium chloride CAS Name: dodecyl-dimethyl-[2-oxo-2-[(E)-3-phenylprop-2-enoxy]ethyl]ammonium chloride IUPAC Name: dodecyl-dimethyl-[2-oxo-2-[(E)-3-phenylprop-2-enoxy]ethyl]azanium chloride Traditional Name: [2-[(E)-cinnamyl]oxy-2-keto-ethyl]-lauryl-dimethyl-ammonium chloride Formula: C25H42ClNO2 MolecularWeight: 424.05948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC(=O)OCC=CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC(=O)OC/C=C/C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C25H42NO2.ClH/c1-4-5-6-7-8-9-10-11-12-16-21-26(2,3)23-25(27)28-22-17-20-24-18-14-13-15-19-24;/h13-15,17-20H,4-12,16,21-23H2,1-3H3;1H/q+1;/p-1/b20-17+;