dodecyl(dimethyl)azanium; undecyl 2-methylprop-2-enoate; chloride

Systemtic Name: dodecyl(dimethyl)azanium; undecyl 2-methylprop-2-enoate; chloride Openeye Name: dodecyl(dimethyl)ammonium; undecyl 2-methylprop-2-enoate; chloride CAS Name: dodecyl(dimethyl)ammonium; 2-methyl-2-propenoic acid undecyl ester; chloride IUPAC Name: dodecyl(dimethyl)azanium; undecyl 2-methylprop-2-enoate; chloride Traditional Name: lauryl(dimethyl)ammonium; 2-methylacrylic acid undecyl ester; chloride Formula: C29H60ClNO2 MolecularWeight: 490.2452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCOC(=O)C(=C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCOC(=O)C(=C)C.[Cl-]

InChI

InChI=1S/C15H28O2.C14H31N.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-15(16)14(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;/h2,4-13H2,1,3H3;4-14H2,1-3H3;1H