2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]-N-[(E)-1-phenylethylideneamino]ethanamide

Systemtic Name: 2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]-N-[(E)-1-phenylethylideneamino]ethanamide Openeye Name: 2-[(2S)-3-oxopiperazin-1-ium-2-yl]-N-[(E)-1-phenylethylideneamino]acetamide CAS Name: 2-[(2S)-3-oxo-2-piperazin-1-iumyl]-N-[(E)-1-phenylethylideneamino]acetamide IUPAC Name: 2-[(2S)-3-oxopiperazin-1-ium-2-yl]-N-[(E)-1-phenylethylideneamino]acetamide Traditional Name: 2-[(2S)-3-ketopiperazin-1-ium-2-yl]-N-[(E)-1-phenylethylideneamino]acetamide Formula: C14H19N4O2+ MolecularWeight: 275.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC1C(=O)NCC[NH2+]1)C2=CC=CC=C2

Isomeric SMILES

C/C(=N\NC(=O)C[C@H]1C(=O)NCC[NH2+]1)/C2=CC=CC=C2

InChI

InChI=1S/C14H18N4O2/c1-10(11-5-3-2-4-6-11)17-18-13(19)9-12-14(20)16-8-7-15-12/h2-6,12,15H,7-9H2,1H3,(H,16,20)(H,18,19)/p+1/b17-10+/t12-/m0/s1