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

Systemtic Name: (2S)-2-(4-dimethylaminophenyl)-2-piperazin-4-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(4-dimethylaminophenyl)-2-piperazin-4-ium-1-yl-thioacetamide CAS Name: (2S)-2-(4-dimethylaminophenyl)-2-(1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(4-dimethylaminophenyl)-2-piperazin-4-ium-1-ylethanethioamide Traditional Name: (2S)-2-(4-dimethylaminophenyl)-2-piperazin-4-ium-1-yl-thioacetamide Formula: C14H23N4S+ MolecularWeight: 279.42422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4S/c1-17(2)12-5-3-11(4-6-12)13(14(15)19)18-9-7-16-8-10-18/h3-6,13,16H,7-10H2,1-2H3,(H2,15,19)/p+1/t13-/m0/s1