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

Systemtic Name: (2S)-2-(4-ethylphenyl)-2-piperazin-4-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(4-ethylphenyl)-2-piperazin-4-ium-1-yl-thioacetamide CAS Name: (2S)-2-(4-ethylphenyl)-2-(1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(4-ethylphenyl)-2-piperazin-4-ium-1-ylethanethioamide Traditional Name: (2S)-2-(4-ethylphenyl)-2-piperazin-4-ium-1-yl-thioacetamide Formula: C14H22N3S+ MolecularWeight: 264.40958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(=S)N)N2CC[NH2+]CC2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C(=S)N)N2CC[NH2+]CC2

InChI

InChI=1S/C14H21N3S/c1-2-11-3-5-12(6-4-11)13(14(15)18)17-9-7-16-8-10-17/h3-6,13,16H,2,7-10H2,1H3,(H2,15,18)/p+1/t13-/m0/s1