2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 2-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]benzonitrile Formula: C20H23N3O2+2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4C#N

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C20H21N3O2/c21-12-17-3-1-2-4-18(17)14-23-9-7-22(8-10-23)13-16-5-6-19-20(11-16)25-15-24-19/h1-6,11H,7-10,13-15H2/p+2