N-[3,5-bis(chloranyl)phenyl]-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,5-dichlorophenyl)-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-dichlorophenyl)-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,5-dichlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3,5-dichlorophenyl)-4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbothioamide Formula: C17H23Cl2N4OS+ MolecularWeight: 402.36172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H22Cl2N4OS/c18-13-9-14(19)11-15(10-13)20-17(25)23-7-5-21(6-8-23)12-16(24)22-3-1-2-4-22/h9-11H,1-8,12H2,(H,20,25)/p+1