N-[4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenyl-ethanamide

Systemtic Name: N-[4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenyl-ethanamide Openeye Name: N-[4-[(3-oxopiperazin-1-ium-1-yl)methyl]thiazol-2-yl]-N-phenyl-acetamide CAS Name: N-[4-[(3-oxo-1-piperazin-1-iumyl)methyl]-2-thiazolyl]-N-phenylacetamide IUPAC Name: N-[4-[(3-oxopiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide Traditional Name: N-[4-[(3-ketopiperazin-1-ium-1-yl)methyl]thiazol-2-yl]-N-phenyl-acetamide Formula: C16H19N4O2S+ MolecularWeight: 331.41266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H18N4O2S/c1-12(21)20(14-5-3-2-4-6-14)16-18-13(11-23-16)9-19-8-7-17-15(22)10-19/h2-6,11H,7-10H2,1H3,(H,17,22)/p+1