2-[4-(2-phenylsulfanylethyl)piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-(2-phenylsulfanylethyl)piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-(2-phenylsulfanylethyl)piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[2-(phenylthio)ethyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-(2-phenylsulfanylethyl)piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[2-(phenylthio)ethyl]piperazin-4-ium-1-yl]ethanol Formula: C14H23N2OS+ MolecularWeight: 267.41022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCSC2=CC=CC=C2)CCO

Isomeric SMILES

C1CN(CC[NH+]1CCSC2=CC=CC=C2)CCO

InChI

InChI=1S/C14H22N2OS/c17-12-10-15-6-8-16(9-7-15)11-13-18-14-4-2-1-3-5-14/h1-5,17H,6-13H2/p+1