(3S,5S)-1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium

Systemtic Name: (3S,5S)-1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium Openeye Name: (3S,5S)-1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium CAS Name: (3S,5S)-1-(4-chlorophenyl)sulfonyl-3,5-dimethylpiperazin-4-ium IUPAC Name: (3S,5S)-1-(4-chlorophenyl)sulfonyl-3,5-dimethylpiperazin-4-ium Traditional Name: (3S,5S)-1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium Formula: C12H18ClN2O2S+ MolecularWeight: 289.80152

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC([NH2+]1)C)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H]1CN(C[C@@H]([NH2+]1)C)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H17ClN2O2S/c1-9-7-15(8-10(2)14-9)18(16,17)12-5-3-11(13)4-6-12/h3-6,9-10,14H,7-8H2,1-2H3/p+1/t9-,10-/m0/s1