1-ethyl-4-(4-phenylsulfanylbutyl)piperazin-4-ium

Systemtic Name: 1-ethyl-4-(4-phenylsulfanylbutyl)piperazin-4-ium Openeye Name: 1-ethyl-4-(4-phenylsulfanylbutyl)piperazin-4-ium CAS Name: 1-ethyl-4-[4-(phenylthio)butyl]piperazin-4-ium IUPAC Name: 1-ethyl-4-(4-phenylsulfanylbutyl)piperazin-4-ium Traditional Name: 1-ethyl-4-[4-(phenylthio)butyl]piperazin-4-ium Formula: C16H27N2S+ MolecularWeight: 279.46398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CCCCSC2=CC=CC=C2

Isomeric SMILES

CCN1CC[NH+](CC1)CCCCSC2=CC=CC=C2

InChI

InChI=1S/C16H26N2S/c1-2-17-11-13-18(14-12-17)10-6-7-15-19-16-8-4-3-5-9-16/h3-5,8-9H,2,6-7,10-15H2,1H3/p+1