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

Systemtic Name: N-methyl-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-methyl-4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-methyl-4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-keto-2-morpholino-ethyl)-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C12H23N4O2S+ MolecularWeight: 287.40162

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CC[NH+](CC1)CC(=O)N2CCOCC2

Isomeric SMILES

CNC(=S)N1CC[NH+](CC1)CC(=O)N2CCOCC2

InChI

InChI=1S/C12H22N4O2S/c1-13-12(19)16-4-2-14(3-5-16)10-11(17)15-6-8-18-9-7-15/h2-10H2,1H3,(H,13,19)/p+1