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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCNC(=O)C3

InChI

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