(2S)-2-(4-methylpiperazin-4-ium-1-yl)propanethioamide

Systemtic Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)propanethioamide Openeye Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)propanethioamide CAS Name: (2S)-2-(4-methyl-1-piperazin-4-iumyl)propanethioamide IUPAC Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)propanethioamide Traditional Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)thiopropionamide Formula: C8H18N3S+ MolecularWeight: 188.31362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=S)N)N1CC[NH+](CC1)C

Isomeric SMILES

C[C@@H](C(=S)N)N1CC[NH+](CC1)C

InChI

InChI=1S/C8H17N3S/c1-7(8(9)12)11-5-3-10(2)4-6-11/h7H,3-6H2,1-2H3,(H2,9,12)/p+1/t7-/m0/s1