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

Systemtic Name: N-(4-ethoxyphenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[(2S)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2S)-3-ketopiperazin-1-ium-2-yl]-N-p-phenetyl-acetamide Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NCC[NH2+]2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)NCC[NH2+]2

InChI

InChI=1S/C14H19N3O3/c1-2-20-11-5-3-10(4-6-11)17-13(18)9-12-14(19)16-8-7-15-12/h3-6,12,15H,2,7-9H2,1H3,(H,16,19)(H,17,18)/p+1/t12-/m0/s1