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

Systemtic Name: (2S)-2-(4-ethylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanethioamide Openeye Name: (2S)-2-(4-ethylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)thioacetamide CAS Name: (2S)-2-(4-ethylphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(4-ethylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanethioamide Traditional Name: (2S)-2-(4-ethylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)thioacetamide Formula: C16H26N3S+ MolecularWeight: 292.46274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(=S)N)N2CC[NH+](CC2)CC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C(=S)N)N2CC[NH+](CC2)CC

InChI

InChI=1S/C16H25N3S/c1-3-13-5-7-14(8-6-13)15(16(17)20)19-11-9-18(4-2)10-12-19/h5-8,15H,3-4,9-12H2,1-2H3,(H2,17,20)/p+1/t15-/m0/s1