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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C25H25N4O5S+ MolecularWeight: 493.5548

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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)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H24N4O5S/c30-23(15-28-9-11-29(12-10-28)25(32)22-6-3-13-35-22)27-19-5-2-1-4-18(19)24(31)26-17-7-8-20-21(14-17)34-16-33-20/h1-8,13-14H,9-12,15-16H2,(H,26,31)(H,27,30)/p+1