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

Systemtic Name: [(Z)-3-chloranylbut-2-enyl]-dimethyl-(2-oxidanylidene-2-phenylmethoxy-ethyl)azanium bromide Openeye Name: (2-benzyloxy-2-oxo-ethyl)-[(Z)-3-chlorobut-2-enyl]-dimethyl-ammonium bromide CAS Name: [(Z)-3-chlorobut-2-enyl]-dimethyl-(2-oxo-2-phenylmethoxyethyl)ammonium bromide IUPAC Name: [(Z)-3-chlorobut-2-enyl]-dimethyl-(2-oxo-2-phenylmethoxyethyl)azanium bromide Traditional Name: (2-benzoxy-2-keto-ethyl)-[(Z)-3-chlorobut-2-enyl]-dimethyl-ammonium bromide Formula: C15H21BrClNO2 MolecularWeight: 362.68974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[N+](C)(C)CC(=O)OCC1=CC=CC=C1)Cl.[Br-]

Isomeric SMILES

C/C(=C/C[N+](C)(C)CC(=O)OCC1=CC=CC=C1)/Cl.[Br-]

InChI

InChI=1S/C15H21ClNO2.BrH/c1-13(16)9-10-17(2,3)11-15(18)19-12-14-7-5-4-6-8-14;/h4-9H,10-12H2,1-3H3;1H/q+1;/p-1/b13-9-;