2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanethioamide

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanethioamide Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]thioacetamide CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]ethanethioamide IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanethioamide Traditional Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]thioacetamide Formula: C13H20N3OS+ MolecularWeight: 266.3824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=S)N

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=S)N

InChI

InChI=1S/C13H19N3OS/c1-17-12-5-3-2-4-11(12)16-8-6-15(7-9-16)10-13(14)18/h2-5H,6-10H2,1H3,(H2,14,18)/p+1