dodecyl(dimethyl)azanium; (E)-2-methylhex-2-enamide; bromide

Systemtic Name: dodecyl(dimethyl)azanium; (E)-2-methylhex-2-enamide; bromide Openeye Name: dodecyl(dimethyl)ammonium; (E)-2-methylhex-2-enamide; bromide CAS Name: dodecyl(dimethyl)ammonium; (E)-2-methyl-2-hexenamide; bromide IUPAC Name: dodecyl(dimethyl)azanium; (E)-2-methylhex-2-enamide; bromide Traditional Name: lauryl(dimethyl)ammonium; (E)-2-methylhex-2-enamide; bromide Formula: C21H45BrN2O MolecularWeight: 421.4988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH+](C)C.CCCC=C(C)C(=O)N.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[NH+](C)C.CCC/C=C(\C)/C(=O)N.[Br-]

InChI

InChI=1S/C14H31N.C7H13NO.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-3-4-5-6(2)7(8)9;/h4-14H2,1-3H3;5H,3-4H2,1-2H3,(H2,8,9);1H/b;6-5+;