1-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[4-(2,5-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one Formula: C16H23Cl2N2O3S+ MolecularWeight: 394.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C16H22Cl2N2O3S/c1-16(2,3)15(21)11-19-6-8-20(9-7-19)24(22,23)14-10-12(17)4-5-13(14)18/h4-5,10H,6-9,11H2,1-3H3/p+1