1-[4-chloranyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-chloranyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-chloro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-chloro-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-chloro-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-chloro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C16H27ClN4O4S2+2 MolecularWeight: 438.99298

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H25ClN4O4S2/c1-18-5-9-20(10-6-18)26(22,23)14-3-4-15(17)16(13-14)27(24,25)21-11-7-19(2)8-12-21/h3-4,13H,5-12H2,1-2H3/p+2