N,N-diethyl-4-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N,N-diethyl-4-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N,N-diethyl-4-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N,N-diethyl-4-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N,N-diethyl-4-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N,N-diethyl-4-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C17H24N4O3/c1-3-21(4-2)17(24)13-5-7-14(8-6-13)19-16(23)12-20-10-9-18-15(22)11-20/h5-8H,3-4,9-12H2,1-2H3,(H,18,22)(H,19,23)/p+1