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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C20H21N4O5+ MolecularWeight: 397.40454

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O5/c25-18-10-24(8-7-21-18)11-19(26)23-15-4-2-1-3-14(15)20(27)22-13-5-6-16-17(9-13)29-12-28-16/h1-6,9H,7-8,10-12H2,(H,21,25)(H,22,27)(H,23,26)/p+1