1-methylsulfonyl-4-phenethyl-piperazin-4-ium

Systemtic Name: 1-methylsulfonyl-4-phenethyl-piperazin-4-ium Openeye Name: 1-methylsulfonyl-4-phenethyl-piperazin-4-ium CAS Name: 1-methylsulfonyl-4-phenethylpiperazin-4-ium IUPAC Name: 1-methylsulfonyl-4-phenethylpiperazin-4-ium Traditional Name: 1-mesyl-4-phenethyl-piperazin-4-ium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CCC2=CC=CC=C2

InChI

InChI=1S/C13H20N2O2S/c1-18(16,17)15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/p+1