2-phenylsulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-phenylsulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-phenylsulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(phenylthio)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-phenylsulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(phenylthio)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C17H19N3OS/c21-17(14-22-15-6-2-1-3-7-15)20-12-10-19(11-13-20)16-8-4-5-9-18-16/h1-9H,10-14H2/p+1