2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-dimethylaminophenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-dimethylaminophenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(4-dimethylaminophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-dimethylaminophenyl)acetamide Traditional Name: N-(4-dimethylaminophenyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H30N4O3+2 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N4O3/c1-24(2)19-6-4-18(5-7-19)23-22(27)15-26-11-9-25(10-12-26)14-17-3-8-20-21(13-17)29-16-28-20/h3-8,13H,9-12,14-16H2,1-2H3,(H,23,27)/p+2