[1-oxidanyl-1-phosphono-2-(4-pyridin-4-ylpiperidin-1-yl)propyl]phosphonic acid

Systemtic Name: [1-oxidanyl-1-phosphono-2-(4-pyridin-4-ylpiperidin-1-yl)propyl]phosphonic acid Openeye Name: [1-hydroxy-1-phosphono-2-[4-(4-pyridyl)-1-piperidyl]propyl]phosphonic acid CAS Name: [1-hydroxy-1-phosphono-2-(4-pyridin-4-yl-1-piperidinyl)propyl]phosphonic acid IUPAC Name: [1-hydroxy-1-phosphono-2-(4-pyridin-4-ylpiperidin-1-yl)propyl]phosphonic acid Traditional Name: [1-hydroxy-1-phosphono-2-[4-(4-pyridyl)piperidino]propyl]phosphonic acid Formula: C13H22N2O7P2 MolecularWeight: 380.270502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N1CCC(CC1)C2=CC=NC=C2

Isomeric SMILES

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N1CCC(CC1)C2=CC=NC=C2

InChI

InChI=1S/C13H22N2O7P2/c1-10(13(16,23(17,18)19)24(20,21)22)15-8-4-12(5-9-15)11-2-6-14-7-3-11/h2-3,6-7,10,12,16H,4-5,8-9H2,1H3,(H2,17,18,19)(H2,20,21,22)