N-(2-phenylsulfanylethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-phenylsulfanylethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-phenylsulfanylethyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(phenylthio)ethyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-phenylsulfanylethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(phenylthio)ethyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCSC2=CC=CC=C2)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCSC2=CC=CC=C2)CC3=CC=CC=N3

InChI

InChI=1S/C20H26N4OS/c25-20(22-10-15-26-19-7-2-1-3-8-19)17-24-13-11-23(12-14-24)16-18-6-4-5-9-21-18/h1-9H,10-17H2,(H,22,25)/p+1