4-[[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C20H22BrN3O2+2 MolecularWeight: 416.31158

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C20H20BrN3O2/c21-18-10-20-19(25-14-26-20)9-17(18)13-24-7-5-23(6-8-24)12-16-3-1-15(11-22)2-4-16/h1-4,9-10H,5-8,12-14H2/p+2