N-(1,3-benzodioxol-5-yl)-2-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C25H26N5O4+ MolecularWeight: 460.50504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=N5

InChI

InChI=1S/C25H25N5O4/c31-24(16-29-11-13-30(14-12-29)23-7-3-4-10-26-23)28-20-6-2-1-5-19(20)25(32)27-18-8-9-21-22(15-18)34-17-33-21/h1-10,15H,11-14,16-17H2,(H,27,32)(H,28,31)/p+1