1-(2,3-disulfopropyl)-1-methyl-pyrrolidin-1-ium-3,4-disulfonic acid

Systemtic Name: 1-(2,3-disulfopropyl)-1-methyl-pyrrolidin-1-ium-3,4-disulfonic acid Openeye Name: 1-(2,3-disulfopropyl)-1-methyl-pyrrolidin-1-ium-3,4-disulfonic acid CAS Name: 1-(2,3-disulfopropyl)-1-methylpyrrolidin-1-ium-3,4-disulfonic acid IUPAC Name: 1-(2,3-disulfopropyl)-1-methylpyrrolidin-1-ium-3,4-disulfonic acid Traditional Name: 1-(2,3-disulfopropyl)-1-methyl-pyrrolidin-1-ium-3,4-disulfonic acid Formula: C8H18NO12S4+ MolecularWeight: 448.48802

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(C(C1)S(=O)(=O)O)S(=O)(=O)O)CC(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C[N+]1(CC(C(C1)S(=O)(=O)O)S(=O)(=O)O)CC(CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C8H17NO12S4/c1-9(2-6(23(13,14)15)5-22(10,11)12)3-7(24(16,17)18)8(4-9)25(19,20)21/h6-8H,2-5H2,1H3,(H3-,10,11,12,13,14,15,16,17,18,19,20,21)/p+1