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

Systemtic Name: N-(4-ethoxyphenyl)-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: 2-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]-N-p-phenetyl-benzamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C21H24N4O4/c1-2-29-16-9-7-15(8-10-16)23-21(28)17-5-3-4-6-18(17)24-20(27)14-25-12-11-22-19(26)13-25/h3-10H,2,11-14H2,1H3,(H,22,26)(H,23,28)(H,24,27)/p+1