N-(5-chloranyl-2-nitro-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-nitro-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-chloro-2-nitrophenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-nitrophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-nitro-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C15H17ClN5O3S+ MolecularWeight: 382.84518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=NC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=NC=CS3

InChI

InChI=1S/C15H16ClN5O3S/c16-11-1-2-13(21(23)24)12(9-11)18-14(22)10-19-4-6-20(7-5-19)15-17-3-8-25-15/h1-3,8-9H,4-7,10H2,(H,18,22)/p+1