dodecyl(methyl)azanium; propyl (E)-2-methylbut-2-enoate; chloride

Systemtic Name: dodecyl(methyl)azanium; propyl (E)-2-methylbut-2-enoate; chloride Openeye Name: dodecyl(methyl)ammonium; propyl (E)-2-methylbut-2-enoate; chloride CAS Name: dodecyl(methyl)ammonium; (E)-2-methyl-2-butenoic acid propyl ester; chloride IUPAC Name: dodecyl(methyl)azanium; propyl (E)-2-methylbut-2-enoate; chloride Traditional Name: lauryl(methyl)ammonium; (E)-2-methylbut-2-enoic acid propyl ester; chloride Formula: C21H44ClNO2 MolecularWeight: 378.03256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH2+]C.CCCOC(=O)C(=CC)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[NH2+]C.CCCOC(=O)/C(=C/C)/C.[Cl-]

InChI

InChI=1S/C13H29N.C8H14O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-2;1-4-6-10-8(9)7(3)5-2;/h14H,3-13H2,1-2H3;5H,4,6H2,1-3H3;1H/b;7-5+;