disodium 1-[4-(1-sulfonatoethyl)piperazin-1-yl]ethanesulfonate

Systemtic Name: disodium 1-[4-(1-sulfonatoethyl)piperazin-1-yl]ethanesulfonate Openeye Name: disodium 1-[4-(1-sulfonatoethyl)piperazin-1-yl]ethanesulfonate CAS Name: disodium 1-[4-(1-sulfonatoethyl)-1-piperazinyl]ethanesulfonate IUPAC Name: disodium 1-[4-(1-sulfonatoethyl)piperazin-1-yl]ethanesulfonate Traditional Name: disodium 1-[4-(1-sulfonatoethyl)piperazino]ethanesulfonate Formula: C8H16N2Na2O6S2 MolecularWeight: 346.33198

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCN(CC1)C(C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(N1CCN(CC1)C(C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C8H18N2O6S2.2Na/c1-7(17(11,12)13)9-3-5-10(6-4-9)8(2)18(14,15)16;;/h7-8H,3-6H2,1-2H3,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2