(2E,3S)-N-(4-chlorophenyl)-1-methyl-2-(nitromethylidene)pyrrolidin-1-ium-3-carbothioamide

Systemtic Name: (2E,3S)-N-(4-chlorophenyl)-1-methyl-2-(nitromethylidene)pyrrolidin-1-ium-3-carbothioamide Openeye Name: (2E,3S)-N-(4-chlorophenyl)-1-methyl-2-(nitromethylene)pyrrolidin-1-ium-3-carbothioamide CAS Name: (2E,3S)-N-(4-chlorophenyl)-1-methyl-2-(nitromethylidene)-3-pyrrolidin-1-iumcarbothioamide IUPAC Name: (2E,3S)-N-(4-chlorophenyl)-1-methyl-2-(nitromethylidene)pyrrolidin-1-ium-3-carbothioamide Traditional Name: (2E,3S)-N-(4-chlorophenyl)-1-methyl-2-(nitromethylene)pyrrolidin-1-ium-3-carbothioamide Formula: C13H15ClN3O2S+ MolecularWeight: 312.7951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C1=C[N+](=O)[O-])C(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]\1CC[C@@H](/C1=C\[N+](=O)[O-])C(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3O2S/c1-16-7-6-11(12(16)8-17(18)19)13(20)15-10-4-2-9(14)3-5-10/h2-5,8,11H,6-7H2,1H3,(H,15,20)/p+1/b12-8+/t11-/m0/s1