4-[[4-[2-(4-bromophenyl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(4-bromophenyl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-bromophenyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-bromophenyl)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-bromophenyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-bromophenyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H21BrN3O+ MolecularWeight: 399.30424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O/c21-19-7-5-16(6-8-19)13-20(25)24-11-9-23(10-12-24)15-18-3-1-17(14-22)2-4-18/h1-8H,9-13,15H2/p+1