4-[[4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C21H24ClN3O2+2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)CC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)CC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C21H22ClN3O2/c22-20-9-18(21-19(10-20)14-26-15-27-21)13-25-7-5-24(6-8-25)12-17-3-1-16(11-23)2-4-17/h1-4,9-10H,5-8,12-15H2/p+2