N-(2-phenylsulfanylethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-phenylsulfanylethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-phenylsulfanylethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(phenylthio)ethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-phenylsulfanylethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(phenylthio)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C19H26N4OS+2 MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCSC2=CC=CC=C2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCSC2=CC=CC=C2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H24N4OS/c24-19(21-10-15-25-17-6-2-1-3-7-17)16-22-11-13-23(14-12-22)18-8-4-5-9-20-18/h1-9H,10-16H2,(H,21,24)/p+2