[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-(3-butoxy-2-oxidanyl-propyl)-dimethyl-azanium bromide

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl]-(3-butoxy-2-oxidanyl-propyl)-dimethyl-azanium bromide Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl]-(3-butoxy-2-hydroxy-propyl)-dimethyl-ammonium bromide CAS Name: [2-(4-bromophenyl)-2-oxoethyl]-(3-butoxy-2-hydroxypropyl)-dimethylammonium bromide IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl]-(3-butoxy-2-hydroxypropyl)-dimethylazanium bromide Traditional Name: [2-(4-bromophenyl)-2-keto-ethyl]-(3-butoxy-2-hydroxy-propyl)-dimethyl-ammonium bromide Formula: C17H27Br2NO3 MolecularWeight: 453.20918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27BrNO3.BrH/c1-4-5-10-22-13-16(20)11-19(2,3)12-17(21)14-6-8-15(18)9-7-14;/h6-9,16,20H,4-5,10-13H2,1-3H3;1H/q+1;/p-1