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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

C1CNC(=O)[C@@H]([NH2+]1)CC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C14H19N3O2/c18-13(10-12-14(19)17-9-8-15-12)16-7-6-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,16,18)(H,17,19)/p+1/t12-/m0/s1