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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H27N3O4+2 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-16(26)18-3-5-19(6-4-18)23-22(27)14-25-10-8-24(9-11-25)13-17-2-7-20-21(12-17)29-15-28-20/h2-7,12H,8-11,13-15H2,1H3,(H,23,27)/p+2