[2-[3-(dimethylamino)pyrazin-1-ium-1-yl]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[3-(dimethylamino)pyrazin-1-ium-1-yl]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[3-(dimethylamino)pyrazin-1-ium-1-yl]-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3-(dimethylamino)-1-pyrazin-1-iumyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[3-(dimethylamino)pyrazin-1-ium-1-yl]-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[3-(dimethylamino)pyrazin-1-ium-1-yl]-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C8H16N3O7P2+ MolecularWeight: 328.176062

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C[N+](=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(C)C1=NC=C[N+](=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H15N3O7P2/c1-10(2)7-5-11(4-3-9-7)6-8(12,19(13,14)15)20(16,17)18/h3-5,12H,6H2,1-2H3,(H3-,13,14,15,16,17,18)/p+1