1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[2-[2-(phenylthio)ethoxy]ethyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[2-[2-(phenylthio)ethoxy]ethyl]piperazine-1,4-diium Formula: C15H26N2OS+2 MolecularWeight: 282.44474

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCOCCSC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCOCCSC2=CC=CC=C2

InChI

InChI=1S/C15H24N2OS/c1-16-7-9-17(10-8-16)11-12-18-13-14-19-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3/p+2