2-[4-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethanenitrile Openeye Name: 2-[4-[2-(4-bromophenyl)-2-oxo-ethyl]piperazin-4-ium-1-yl]acetonitrile CAS Name: 2-[4-[2-(4-bromophenyl)-2-oxoethyl]-1-piperazin-4-iumyl]acetonitrile IUPAC Name: 2-[4-[2-(4-bromophenyl)-2-oxoethyl]piperazin-4-ium-1-yl]acetonitrile Traditional Name: 2-[4-[2-(4-bromophenyl)-2-keto-ethyl]piperazin-4-ium-1-yl]acetonitrile Formula: C14H17BrN3O+ MolecularWeight: 323.20828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC=C(C=C2)Br)CC#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC=C(C=C2)Br)CC#N

InChI

InChI=1S/C14H16BrN3O/c15-13-3-1-12(2-4-13)14(19)11-18-9-7-17(6-5-16)8-10-18/h1-4H,6-11H2/p+1