(2S)-2-(4-ethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide

Systemtic Name: (2S)-2-(4-ethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide Openeye Name: (2S)-2-(4-ethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)thioacetamide CAS Name: (2S)-2-(4-ethoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(4-ethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide Traditional Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-p-phenetyl-thioacetamide Formula: C15H24N3OS+ MolecularWeight: 294.43556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C(=S)N)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H](C(=S)N)N2CC[NH+](CC2)C

InChI

InChI=1S/C15H23N3OS/c1-3-19-13-6-4-12(5-7-13)14(15(16)20)18-10-8-17(2)9-11-18/h4-7,14H,3,8-11H2,1-2H3,(H2,16,20)/p+1/t14-/m0/s1