4-[[4-[2-(3-bromanylphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(3-bromanylphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3-bromophenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(3-bromophenoxy)ethyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3-bromophenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3-bromophenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C20H24BrN3O+2 MolecularWeight: 402.32806

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCOC2=CC(=CC=C2)Br)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[NH+](CC[NH+]1CCOC2=CC(=CC=C2)Br)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22BrN3O/c21-19-2-1-3-20(14-19)25-13-12-23-8-10-24(11-9-23)16-18-6-4-17(15-22)5-7-18/h1-7,14H,8-13,16H2/p+2