1-[2,4-bis(chloranyl)-3-methyl-phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[2,4-bis(chloranyl)-3-methyl-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(2,4-dichloro-3-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(2,4-dichloro-3-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C12H17Cl2N2O2S+ MolecularWeight: 324.24658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)S(=O)(=O)N2CC[NH+](CC2)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1Cl)S(=O)(=O)N2CC[NH+](CC2)C)Cl

InChI

InChI=1S/C12H16Cl2N2O2S/c1-9-10(13)3-4-11(12(9)14)19(17,18)16-7-5-15(2)6-8-16/h3-4H,5-8H2,1-2H3/p+1