2-bromoethyl-dimethyl-[(E)-3-phenylprop-2-enyl]azanium bromide

Systemtic Name: 2-bromoethyl-dimethyl-[(E)-3-phenylprop-2-enyl]azanium bromide Openeye Name: 2-bromoethyl-[(E)-cinnamyl]-dimethyl-ammonium bromide CAS Name: 2-bromoethyl-dimethyl-[(E)-3-phenylprop-2-enyl]ammonium bromide IUPAC Name: 2-bromoethyl-dimethyl-[(E)-3-phenylprop-2-enyl]azanium bromide Traditional Name: 2-bromoethyl-[(E)-cinnamyl]-dimethyl-ammonium bromide Formula: C13H19Br2N MolecularWeight: 349.10466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCBr)CC=CC1=CC=CC=C1.[Br-]

Isomeric SMILES

C[N+](C)(CCBr)C/C=C/C1=CC=CC=C1.[Br-]

InChI

InChI=1S/C13H19BrN.BrH/c1-15(2,12-10-14)11-6-9-13-7-4-3-5-8-13;/h3-9H,10-12H2,1-2H3;1H/q+1;/p-1/b9-6+;