1-(2-chloranyl-4-methyl-5-methylsulfonyl-phenyl)piperazin-4-ium

Systemtic Name: 1-(2-chloranyl-4-methyl-5-methylsulfonyl-phenyl)piperazin-4-ium Openeye Name: 1-(2-chloro-4-methyl-5-methylsulfonyl-phenyl)piperazin-4-ium CAS Name: 1-(2-chloro-4-methyl-5-methylsulfonylphenyl)piperazin-4-ium IUPAC Name: 1-(2-chloro-4-methyl-5-methylsulfonylphenyl)piperazin-4-ium Traditional Name: 1-(2-chloro-5-mesyl-4-methyl-phenyl)piperazin-4-ium Formula: C12H18ClN2O2S+ MolecularWeight: 289.80152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)C)N2CC[NH2+]CC2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)C)N2CC[NH2+]CC2)Cl

InChI

InChI=1S/C12H17ClN2O2S/c1-9-7-10(13)11(8-12(9)18(2,16)17)15-5-3-14-4-6-15/h7-8,14H,3-6H2,1-2H3/p+1