(2S)-2-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-ethanethioamide

Systemtic Name: (2S)-2-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-thioacetamide CAS Name: (2S)-2-(3-methoxyphenyl)-2-(1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(3-methoxyphenyl)-2-piperazin-4-ium-1-ylethanethioamide Traditional Name: (2S)-2-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-thioacetamide Formula: C13H20N3OS+ MolecularWeight: 266.3824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C(=S)N)N2CC[NH2+]CC2

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H](C(=S)N)N2CC[NH2+]CC2

InChI

InChI=1S/C13H19N3OS/c1-17-11-4-2-3-10(9-11)12(13(14)18)16-7-5-15-6-8-16/h2-4,9,12,15H,5-8H2,1H3,(H2,14,18)/p+1/t12-/m0/s1