butyl(dimethyl)azanium; 2-methylidenehexanoic acid; bromide

Systemtic Name: butyl(dimethyl)azanium; 2-methylidenehexanoic acid; bromide Openeye Name: butyl(dimethyl)ammonium; 2-methylenehexanoic acid; bromide CAS Name: butyl(dimethyl)ammonium; 2-methylenehexanoic acid; bromide IUPAC Name: butyl(dimethyl)azanium; 2-methylidenehexanoic acid; bromide Traditional Name: 2-butylacrylic acid; butyl(dimethyl)ammonium; bromide Formula: C13H28BrNO2 MolecularWeight: 310.27092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12O2.C6H15N.BrH/c1-3-4-5-6(2)7(8)9;1-4-5-6-7(2)3;/h2-5H2,1H3,(H,8,9);4-6H2,1-3H3;1H