N-cyclopropyl-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-cyclopropyl-2-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-cyclopropyl-2-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H20N4O3/c21-14-9-20(8-7-17-14)10-15(22)19-13-4-2-1-3-12(13)16(23)18-11-5-6-11/h1-4,11H,5-10H2,(H,17,21)(H,18,23)(H,19,22)/p+1