2-dimethylaminoethyl 2-methylprop-2-enoate; ethyl 2-methylprop-2-enoate; hexadecyl(dimethyl)azanium; bromide

Systemtic Name: 2-dimethylaminoethyl 2-methylprop-2-enoate; ethyl 2-methylprop-2-enoate; hexadecyl(dimethyl)azanium; bromide Openeye Name: 2-dimethylaminoethyl 2-methylprop-2-enoate; ethyl 2-methylprop-2-enoate; hexadecyl(dimethyl)ammonium; bromide CAS Name: hexadecyl(dimethyl)ammonium; 2-methyl-2-propenoic acid 2-dimethylaminoethyl ester; 2-methyl-2-propenoic acid ethyl ester; bromide IUPAC Name: 2-dimethylaminoethyl 2-methylprop-2-enoate; ethyl 2-methylprop-2-enoate; hexadecyl(dimethyl)azanium; bromide Traditional Name: cetyl(dimethyl)ammonium; 2-methylacrylic acid 2-dimethylaminoethyl ester; 2-methylacrylic acid ethyl ester; bromide Formula: C32H65BrN2O4 MolecularWeight: 621.7735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH+](C)C.CCOC(=O)C(=C)C.CC(=C)C(=O)OCCN(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH+](C)C.CCOC(=O)C(=C)C.CC(=C)C(=O)OCCN(C)C.[Br-]

InChI

InChI=1S/C18H39N.C8H15NO2.C6H10O2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-7(2)8(10)11-6-5-9(3)4;1-4-8-6(7)5(2)3;/h4-18H2,1-3H3;1,5-6H2,2-4H3;2,4H2,1,3H3;1H