1-[2,4-bis(methylsulfonyl)phenyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-methyl-piperazin-4-ium CAS Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-methylpiperazin-4-ium Traditional Name: 1-(2,4-dimesylphenyl)-4-methyl-piperazin-4-ium Formula: C13H21N2O4S2+ MolecularWeight: 333.44684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4S2/c1-14-6-8-15(9-7-14)12-5-4-11(20(2,16)17)10-13(12)21(3,18)19/h4-5,10H,6-9H2,1-3H3/p+1