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

Systemtic Name: 1-methyl-4-[(2-phenylsulfanylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[(2-phenylsulfanylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[[2-(phenylthio)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[(2-phenylsulfanylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[2-(phenylthio)benzyl]piperazine-1,4-diium Formula: C18H24N2S+2 MolecularWeight: 300.46156

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C18H22N2S/c1-19-11-13-20(14-12-19)15-16-7-5-6-10-18(16)21-17-8-3-2-4-9-17/h2-10H,11-15H2,1H3/p+2