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

Systemtic Name: 2-[4-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[(2-chloro-5-nitro-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[(2-chloro-5-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[(2-chloro-5-nitro-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C15H21ClN5O3S+ MolecularWeight: 386.87694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H20ClN5O3S/c1-18(2)14(22)10-19-5-7-20(8-6-19)15(25)17-13-9-11(21(23)24)3-4-12(13)16/h3-4,9H,5-8,10H2,1-2H3,(H,17,25)/p+1