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

Systemtic Name: (2S)-2-(3-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide Openeye Name: (2S)-2-(3-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)thioacetamide CAS Name: (2S)-2-(3-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(3-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide Traditional Name: (2S)-2-(3-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)thioacetamide Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3OS/c1-16-6-8-17(9-7-16)13(14(15)19)11-4-3-5-12(10-11)18-2/h3-5,10,13H,6-9H2,1-2H3,(H2,15,19)/p+1/t13-/m0/s1