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

Systemtic Name: N-(4-methoxyphenyl)-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(4-methoxyphenyl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-(4-methoxyphenyl)-2-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N-(4-methoxyphenyl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: 2-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Formula: C20H23N4O4+ MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C20H22N4O4/c1-28-15-8-6-14(7-9-15)22-20(27)16-4-2-3-5-17(16)23-19(26)13-24-11-10-21-18(25)12-24/h2-9H,10-13H2,1H3,(H,21,25)(H,22,27)(H,23,26)/p+1