1-methyl-4-(3-phenylsulfanylpropyl)piperazine-1,4-diium

Systemtic Name: 1-methyl-4-(3-phenylsulfanylpropyl)piperazine-1,4-diium Openeye Name: 1-methyl-4-(3-phenylsulfanylpropyl)piperazine-1,4-diium CAS Name: 1-methyl-4-[3-(phenylthio)propyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-(3-phenylsulfanylpropyl)piperazine-1,4-diium Traditional Name: 1-methyl-4-[3-(phenylthio)propyl]piperazine-1,4-diium Formula: C14H24N2S+2 MolecularWeight: 252.41876

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCSC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCSC2=CC=CC=C2

InChI

InChI=1S/C14H22N2S/c1-15-9-11-16(12-10-15)8-5-13-17-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/p+2