dodecyl-dimethyl-[2-methylidene-3-(phenylmethyl)pentanoyl]oxy-azanium chloride

Systemtic Name: dodecyl-dimethyl-[2-methylidene-3-(phenylmethyl)pentanoyl]oxy-azanium chloride Openeye Name: (3-benzyl-2-methylene-pentanoyl)oxy-dodecyl-dimethyl-ammonium chloride CAS Name: dodecyl-dimethyl-[2-methylene-1-oxo-3-(phenylmethyl)pentoxy]ammonium chloride IUPAC Name: (3-benzyl-2-methylidenepentanoyl)oxy-dodecyl-dimethylazanium chloride Traditional Name: [2-(1-benzylpropyl)acryloyl]oxy-lauryl-dimethyl-ammonium chloride Formula: C27H46ClNO2 MolecularWeight: 452.11264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46NO2.ClH/c1-6-8-9-10-11-12-13-14-15-19-22-28(4,5)30-27(29)24(3)26(7-2)23-25-20-17-16-18-21-25;/h16-18,20-21,26H,3,6-15,19,22-23H2,1-2,4-5H3;1H/q+1;/p-1