(2S)-2-(4-tert-butylphenyl)-2-piperazin-4-ium-1-yl-ethanethioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3S/c1-16(2,3)13-6-4-12(5-7-13)14(15(17)20)19-10-8-18-9-11-19/h4-7,14,18H,8-11H2,1-3H3,(H2,17,20)/p+1/t14-/m0/s1