[1-phosphono-2-(3-pyrrolidin-1-ylsulfonylpyridin-1-ium-1-yl)ethyl]phosphonic acid

Systemtic Name: [1-phosphono-2-(3-pyrrolidin-1-ylsulfonylpyridin-1-ium-1-yl)ethyl]phosphonic acid Openeye Name: [1-phosphono-2-(3-pyrrolidin-1-ylsulfonylpyridin-1-ium-1-yl)ethyl]phosphonic acid CAS Name: [1-phosphono-2-[3-(1-pyrrolidinylsulfonyl)-1-pyridin-1-iumyl]ethyl]phosphonic acid IUPAC Name: [1-phosphono-2-(3-pyrrolidin-1-ylsulfonylpyridin-1-ium-1-yl)ethyl]phosphonic acid Traditional Name: [1-phosphono-2-(3-pyrrolidinosulfonylpyridin-1-ium-1-yl)ethyl]phosphonic acid Formula: C11H19N2O8P2S+ MolecularWeight: 401.289682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[N+](=CC=C2)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[N+](=CC=C2)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H18N2O8P2S/c14-22(15,16)11(23(17,18)19)9-12-5-3-4-10(8-12)24(20,21)13-6-1-2-7-13/h3-5,8,11H,1-2,6-7,9H2,(H3-,14,15,16,17,18,19)/p+1