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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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