(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-ethanethioamide

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-thioacetamide CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-ylethanethioamide Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-thioacetamide Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=S)N)N2CC[NH2+]CC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C(=S)N)N2CC[NH2+]CC2)OC

InChI

InChI=1S/C14H21N3O2S/c1-18-11-4-3-10(9-12(11)19-2)13(14(15)20)17-7-5-16-6-8-17/h3-4,9,13,16H,5-8H2,1-2H3,(H2,15,20)/p+1/t13-/m0/s1