1-[[3-(4-methylsulfonylphenyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-[[3-(4-methylsulfonylphenyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-[[3-(4-methylsulfonylphenyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-[[3-(4-methylsulfonylphenyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[[3-(4-methylsulfonylphenyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-[3-(4-mesylphenyl)benzyl]piperazin-4-ium Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)CN3CC[NH2+]CC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)CN3CC[NH2+]CC3

InChI

InChI=1S/C18H22N2O2S/c1-23(21,22)18-7-5-16(6-8-18)17-4-2-3-15(13-17)14-20-11-9-19-10-12-20/h2-8,13,19H,9-12,14H2,1H3/p+1