1-methyl-4-(4-phenylsulfanylbutyl)piperazine-1,4-diium

Systemtic Name: 1-methyl-4-(4-phenylsulfanylbutyl)piperazine-1,4-diium Openeye Name: 1-methyl-4-(4-phenylsulfanylbutyl)piperazine-1,4-diium CAS Name: 1-methyl-4-[4-(phenylthio)butyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-(4-phenylsulfanylbutyl)piperazine-1,4-diium Traditional Name: 1-methyl-4-[4-(phenylthio)butyl]piperazine-1,4-diium Formula: C15H26N2S+2 MolecularWeight: 266.44534

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCCSC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCSC2=CC=CC=C2

InChI

InChI=1S/C15H24N2S/c1-16-10-12-17(13-11-16)9-5-6-14-18-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3/p+2