N-(4-acetamidophenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[(2S)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[(2S)-3-ketopiperazin-1-ium-2-yl]acetamide Formula: C14H19N4O3+ MolecularWeight: 291.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CC2C(=O)NCC[NH2+]2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)NCC[NH2+]2

InChI

InChI=1S/C14H18N4O3/c1-9(19)17-10-2-4-11(5-3-10)18-13(20)8-12-14(21)16-7-6-15-12/h2-5,12,15H,6-8H2,1H3,(H,16,21)(H,17,19)(H,18,20)/p+1/t12-/m0/s1