3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propanethioamide

Systemtic Name: 3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propanethioamide Openeye Name: 3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propanethioamide CAS Name: 3-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]propanethioamide IUPAC Name: 3-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]propanethioamide Traditional Name: 3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]thiopropionamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)CCC(=S)N

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)CCC(=S)N

InChI

InChI=1S/C14H21N3S/c1-16-9-10-17(8-7-14(15)18)13(11-16)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H2,15,18)/p+1/t13-/m1/s1