[(Z)-3-chloranylbut-2-enyl]-dimethyl-(2-octoxy-2-oxidanylidene-ethyl)azanium bromide

Systemtic Name: [(Z)-3-chloranylbut-2-enyl]-dimethyl-(2-octoxy-2-oxidanylidene-ethyl)azanium bromide Openeye Name: [(Z)-3-chlorobut-2-enyl]-dimethyl-(2-octoxy-2-oxo-ethyl)ammonium bromide CAS Name: [(Z)-3-chlorobut-2-enyl]-dimethyl-(2-octoxy-2-oxoethyl)ammonium bromide IUPAC Name: [(Z)-3-chlorobut-2-enyl]-dimethyl-(2-octoxy-2-oxoethyl)azanium bromide Traditional Name: [(Z)-3-chlorobut-2-enyl]-(2-keto-2-octoxy-ethyl)-dimethyl-ammonium bromide Formula: C16H31BrClNO2 MolecularWeight: 384.77984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCOC(=O)C[N+](C)(C)C/C=C(/C)\Cl.[Br-]

InChI

InChI=1S/C16H31ClNO2.BrH/c1-5-6-7-8-9-10-13-20-16(19)14-18(3,4)12-11-15(2)17;/h11H,5-10,12-14H2,1-4H3;1H/q+1;/p-1/b15-11-;