3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propane-1-sulfonate Formula: C15H24N2O5S2 MolecularWeight: 376.49146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C15H24N2O5S2/c1-13-4-5-15(12-14(13)2)24(21,22)17-9-7-16(8-10-17)6-3-11-23(18,19)20/h4-5,12H,3,6-11H2,1-2H3,(H,18,19,20)