(2S)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanethioamide

Systemtic Name: (2S)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanethioamide Openeye Name: (2S)-2-(4-benzylpiperazin-4-ium-1-yl)propanethioamide CAS Name: (2S)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]propanethioamide IUPAC Name: (2S)-2-(4-benzylpiperazin-4-ium-1-yl)propanethioamide Traditional Name: (2S)-2-(4-benzylpiperazin-4-ium-1-yl)thiopropionamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=S)N)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=S)N)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C14H21N3S/c1-12(14(15)18)17-9-7-16(8-10-17)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H2,15,18)/p+1/t12-/m0/s1