[1-(dimethylamino)-3-(1H-imidazol-5-yl)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [1-(dimethylamino)-3-(1H-imidazol-5-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [1-(dimethylamino)-3-(1H-imidazol-5-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [1-(dimethylamino)-3-(1H-imidazol-5-yl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-(dimethylamino)-3-(1H-imidazol-5-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [1-(dimethylamino)-3-(1H-imidazol-5-yl)-1-phosphono-propyl]phosphonic acid Formula: C8H17N3O6P2 MolecularWeight: 313.184602

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CCC1=CN=CN1)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(C)C(CCC1=CN=CN1)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H17N3O6P2/c1-11(2)8(18(12,13)14,19(15,16)17)4-3-7-5-9-6-10-7/h5-6H,3-4H2,1-2H3,(H,9,10)(H2,12,13,14)(H2,15,16,17)