(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethanethioamide

Systemtic Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethanethioamide Openeye Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-thioacetamide CAS Name: (2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-phenylethanethioamide IUPAC Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenylethanethioamide Traditional Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-thioacetamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C2=CC=CC=C2)C(=S)N

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@@H](C2=CC=CC=C2)C(=S)N

InChI

InChI=1S/C14H21N3S/c1-2-16-8-10-17(11-9-16)13(14(15)18)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H2,15,18)/p+1/t13-/m0/s1