3-[4-(3-phosphonopentan-3-yl)piperazin-1-yl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-(3-phosphonopentan-3-yl)piperazin-1-yl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[4-(1-ethyl-1-phosphono-propyl)piperazin-1-yl]propyl]phosphonic acid CAS Name: 3-[4-(3-phosphonopentan-3-yl)-1-piperazinyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-(3-phosphonopentan-3-yl)piperazin-1-yl]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[4-(1-ethyl-1-phosphono-propyl)piperazino]propyl]phosphonic acid Formula: C14H32N2O6P2 MolecularWeight: 386.361202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(N1CCN(CC1)C(CC)(CC)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(CC)(N1CCN(CC1)C(CC)(CC)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H32N2O6P2/c1-5-13(6-2,23(17,18)19)15-9-11-16(12-10-15)14(7-3,8-4)24(20,21)22/h5-12H2,1-4H3,(H2,17,18,19)(H2,20,21,22)