2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-(4-piperonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)N)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)N)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O4/c22-21(27)16-3-1-2-4-17(16)23-20(26)13-25-9-7-24(8-10-25)12-15-5-6-18-19(11-15)29-14-28-18/h1-6,11H,7-10,12-14H2,(H2,22,27)(H,23,26)/p+1