1-[(4-chlorophenyl)methyl]-4-methylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-(4-chlorobenzyl)-4-mesyl-piperazin-1-ium Formula: C12H18ClN2O2S+ MolecularWeight: 289.80152

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H17ClN2O2S/c1-18(16,17)15-8-6-14(7-9-15)10-11-2-4-12(13)5-3-11/h2-5H,6-10H2,1H3/p+1