1-[(4-methylsulfanylphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-propylsulfonyl-piperazin-1-ium Formula: C15H25N2O2S2+ MolecularWeight: 329.5012

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C15H24N2O2S2/c1-3-12-21(18,19)17-10-8-16(9-11-17)13-14-4-6-15(20-2)7-5-14/h4-7H,3,8-13H2,1-2H3/p+1