[1-(dimethylamino)-2-(2-imidazol-1-ylpropoxy)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-(dimethylamino)-2-(2-imidazol-1-ylpropoxy)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-(dimethylamino)-2-(2-imidazol-1-ylpropoxy)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-(dimethylamino)-2-[2-(1-imidazolyl)propoxy]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-(dimethylamino)-2-(2-imidazol-1-ylpropoxy)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-(dimethylamino)-2-(2-imidazol-1-ylpropoxy)-1-phosphono-ethyl]phosphonic acid Formula: C10H21N3O7P2 MolecularWeight: 357.237162

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC(N(C)C)(P(=O)(O)O)P(=O)(O)O)N1C=CN=C1

Isomeric SMILES

CC(COCC(N(C)C)(P(=O)(O)O)P(=O)(O)O)N1C=CN=C1

InChI

InChI=1S/C10H21N3O7P2/c1-9(13-5-4-11-8-13)6-20-7-10(12(2)3,21(14,15)16)22(17,18)19/h4-5,8-9H,6-7H2,1-3H3,(H2,14,15,16)(H2,17,18,19)