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

Systemtic Name: 2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]-N-[(1R)-1-phenylethyl]benzamide Openeye Name: 2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide CAS Name: 2-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]-N-[(1R)-1-phenylethyl]benzamide IUPAC Name: 2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide Traditional Name: 2-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-15(16-7-3-2-4-8-16)23-21(28)17-9-5-6-10-18(17)24-20(27)14-25-12-11-22-19(26)13-25/h2-10,15H,11-14H2,1H3,(H,22,26)(H,23,28)(H,24,27)/p+1/t15-/m1/s1