4-(4-ethyl-1-methyl-piperazin-1-ium-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile bromide

Systemtic Name: 4-(4-ethyl-1-methyl-piperazin-1-ium-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile bromide Openeye Name: 4-(4-ethyl-1-methyl-piperazin-1-ium-1-yl)-3-oxo-2-phenyl-butanenitrile bromide CAS Name: 4-(4-ethyl-1-methyl-1-piperazin-1-iumyl)-3-oxo-2-phenylbutanenitrile bromide IUPAC Name: 4-(4-ethyl-1-methylpiperazin-1-ium-1-yl)-3-oxo-2-phenylbutanenitrile bromide Traditional Name: 4-(4-ethyl-1-methyl-piperazin-1-ium-1-yl)-3-keto-2-phenyl-butyronitrile bromide Formula: C17H24BrN3O MolecularWeight: 366.29596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[N+](CC1)(C)CC(=O)C(C#N)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCN1CC[N+](CC1)(C)CC(=O)C(C#N)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C17H24N3O.BrH/c1-3-19-9-11-20(2,12-10-19)14-17(21)16(13-18)15-7-5-4-6-8-15;/h4-8,16H,3,9-12,14H2,1-2H3;1H/q+1;/p-1