N-(4-ethylphenyl)-2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide CAS Name: N-(4-ethylphenyl)-2-[(2R)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[(2R)-3-ketopiperazin-1-ium-2-yl]acetamide Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC2C(=O)NCC[NH2+]2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)NCC[NH2+]2

InChI

InChI=1S/C14H19N3O2/c1-2-10-3-5-11(6-4-10)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-/m1/s1