hexadecyl(dimethyl)azanium; 2-methyl-N-propyl-prop-2-enimidate; bromide

Systemtic Name: hexadecyl(dimethyl)azanium; 2-methyl-N-propyl-prop-2-enimidate; bromide Openeye Name: hexadecyl(dimethyl)ammonium; 2-methyl-N-propyl-prop-2-enimidate; bromide CAS Name: hexadecyl(dimethyl)ammonium; 2-methyl-N-propyl-2-propenimidate; bromide IUPAC Name: hexadecyl(dimethyl)azanium; 2-methyl-N-propylprop-2-enimidate; bromide Traditional Name: cetyl(dimethyl)ammonium; 2-methyl-N-propyl-acrylimidate; bromide Formula: C43H92BrN3O MolecularWeight: 747.11408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCCCC[NH+](C)C.CCCN=C(C(=C)C)[O-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCCCC[NH+](C)C.CCCN=C(C(=C)C)[O-].[Br-]

InChI

InChI=1S/2C18H39N.C7H13NO.BrH/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-4-5-8-7(9)6(2)3;/h2*4-18H2,1-3H3;2,4-5H2,1,3H3,(H,8,9);1H