2-hydroxyethyl-dimethyl-(4-oxidanylidene-4-phenyl-butyl)azanium bromide ethanoate

Systemtic Name: 2-hydroxyethyl-dimethyl-(4-oxidanylidene-4-phenyl-butyl)azanium bromide ethanoate Openeye Name: 2-hydroxyethyl-dimethyl-(4-oxo-4-phenyl-butyl)ammonium acetate bromide CAS Name: 2-hydroxyethyl-dimethyl-(4-oxo-4-phenylbutyl)ammonium acetate bromide IUPAC Name: 2-hydroxyethyl-dimethyl-(4-oxo-4-phenylbutyl)azanium acetate bromide Traditional Name: 2-hydroxyethyl-(4-keto-4-phenyl-butyl)-dimethyl-ammonium acetate bromide Formula: C16H25BrNO4- MolecularWeight: 375.278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22NO2.C2H4O2.BrH/c1-15(2,11-12-16)10-6-9-14(17)13-7-4-3-5-8-13;1-2(3)4;/h3-5,7-8,16H,6,9-12H2,1-2H3;1H3,(H,3,4);1H/q+1;;/p-2