N-(2,5-dimethylphenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[(2S)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(2S)-3-ketopiperazin-1-ium-2-yl]acetamide Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CC2C(=O)NCC[NH2+]2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C[C@H]2C(=O)NCC[NH2+]2

InChI

InChI=1S/C14H19N3O2/c1-9-3-4-10(2)11(7-9)17-13(18)8-12-14(19)16-6-5-15-12/h3-4,7,12,15H,5-6,8H2,1-2H3,(H,16,19)(H,17,18)/p+1/t12-/m0/s1