[(E)-3-chloranylbut-2-enyl]-dimethyl-(2-oxidanylidene-2-phenethyloxy-ethyl)azanium bromide

Systemtic Name: [(E)-3-chloranylbut-2-enyl]-dimethyl-(2-oxidanylidene-2-phenethyloxy-ethyl)azanium bromide Openeye Name: [(E)-3-chlorobut-2-enyl]-dimethyl-(2-oxo-2-phenethyloxy-ethyl)ammonium bromide CAS Name: [(E)-3-chlorobut-2-enyl]-dimethyl-(2-oxo-2-phenethyloxyethyl)ammonium bromide IUPAC Name: [(E)-3-chlorobut-2-enyl]-dimethyl-(2-oxo-2-phenethyloxyethyl)azanium bromide Traditional Name: [(E)-3-chlorobut-2-enyl]-(2-keto-2-phenethyloxy-ethyl)-dimethyl-ammonium bromide Formula: C16H23BrClNO2 MolecularWeight: 376.71632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[N+](C)(C)CC(=O)OCCC1=CC=CC=C1)Cl.[Br-]

Isomeric SMILES

C/C(=C\C[N+](C)(C)CC(=O)OCCC1=CC=CC=C1)/Cl.[Br-]

InChI

InChI=1S/C16H23ClNO2.BrH/c1-14(17)9-11-18(2,3)13-16(19)20-12-10-15-7-5-4-6-8-15;/h4-9H,10-13H2,1-3H3;1H/q+1;/p-1/b14-9+;