hexadecanoate; (E)-2-methylhex-2-enamide; trimethylazanium

Systemtic Name: hexadecanoate; (E)-2-methylhex-2-enamide; trimethylazanium Openeye Name: hexadecanoate; (E)-2-methylhex-2-enamide; trimethylammonium CAS Name: hexadecanoate; (E)-2-methyl-2-hexenamide; trimethylammonium IUPAC Name: hexadecanoate; (E)-2-methylhex-2-enamide; trimethylazanium Traditional Name: (E)-2-methylhex-2-enamide; palmitate; trimethylammonium Formula: C26H54N2O3 MolecularWeight: 442.71856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H32O2.C7H13NO.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-4-5-6(2)7(8)9;1-4(2)3/h2-15H2,1H3,(H,17,18);5H,3-4H2,1-2H3,(H2,8,9);1-3H3/b;6-5+;