N-methyl-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-methyl-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-methyl-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-methyl-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-keto-2-pyrrolidino-ethyl)-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C12H23N4OS+ MolecularWeight: 271.40222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CC[NH+](CC1)CC(=O)N2CCCC2

Isomeric SMILES

CNC(=S)N1CC[NH+](CC1)CC(=O)N2CCCC2

InChI

InChI=1S/C12H22N4OS/c1-13-12(18)16-8-6-14(7-9-16)10-11(17)15-4-2-3-5-15/h2-10H2,1H3,(H,13,18)/p+1