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

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanethioamide Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)thioacetamide CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanethioamide IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)ethanethioamide Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)thioacetamide Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(=S)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(=S)N

InChI

InChI=1S/C13H19N3S/c14-13(17)11-16-8-6-15(7-9-16)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,14,17)/p+1