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

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-N,N-dimethyl-benzamide Openeye Name: 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N,N-dimethyl-benzamide CAS Name: 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N,N-dimethylbenzamide Traditional Name: N,N-dimethyl-4-[[2-(4-piperonylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide Formula: C23H30N4O4+2 MolecularWeight: 426.5087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-25(2)23(29)18-4-6-19(7-5-18)24-22(28)15-27-11-9-26(10-12-27)14-17-3-8-20-21(13-17)31-16-30-20/h3-8,13H,9-12,14-16H2,1-2H3,(H,24,28)/p+2