4-[4-(4-sulfonatobutyl)piperazin-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[4-(4-sulfonatobutyl)piperazin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[4-(4-sulfonatobutyl)piperazin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[4-(4-sulfonatobutyl)-1-piperazin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[4-(4-sulfonatobutyl)piperazin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[4-(4-sulfonatobutyl)piperazin-1-ium-1-yl]butane-1-sulfonate Formula: C12H25N2O6S2- MolecularWeight: 357.4667

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCS(=O)(=O)[O-])CCCCS(=O)(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCCCS(=O)(=O)[O-])CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C12H26N2O6S2/c15-21(16,17)11-3-1-5-13-7-9-14(10-8-13)6-2-4-12-22(18,19)20/h1-12H2,(H,15,16,17)(H,18,19,20)/p-1