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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H29N3O5+2 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H27N3O5/c1-27-18-6-4-17(12-20(18)28-2)23-22(26)14-25-9-7-24(8-10-25)13-16-3-5-19-21(11-16)30-15-29-19/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,23,26)/p+2