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

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: N-methyl-4-[[2-(4-piperonylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide Formula: C22H28N4O4+2 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-23-22(28)17-3-5-18(6-4-17)24-21(27)14-26-10-8-25(9-11-26)13-16-2-7-19-20(12-16)30-15-29-19/h2-7,12H,8-11,13-15H2,1H3,(H,23,28)(H,24,27)/p+2