1-[(4-methylsulfanylphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(2-naphthylsulfonyl)piperazin-1-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(2-naphthalenylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-(2-naphthylsulfonyl)piperazin-1-ium Formula: C22H25N2O2S2+ MolecularWeight: 413.5761

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H24N2O2S2/c1-27-21-9-6-18(7-10-21)17-23-12-14-24(15-13-23)28(25,26)22-11-8-19-4-2-3-5-20(19)16-22/h2-11,16H,12-15,17H2,1H3/p+1