[1-oxidanyl-3-(1-phenylpiperazin-1-ium-1-yl)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [1-oxidanyl-3-(1-phenylpiperazin-1-ium-1-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-(1-phenylpiperazin-1-ium-1-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-(1-phenyl-1-piperazin-1-iumyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-(1-phenylpiperazin-1-ium-1-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-(1-phenylpiperazin-1-ium-1-yl)-1-phosphono-propyl]phosphonic acid Formula: C13H23N2O7P2+ MolecularWeight: 381.278442

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCC(O)(P(=O)(O)O)P(=O)(O)O)C2=CC=CC=C2

Isomeric SMILES

C1C[N+](CCN1)(CCC(O)(P(=O)(O)O)P(=O)(O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H22N2O7P2/c16-13(23(17,18)19,24(20,21)22)6-9-15(10-7-14-8-11-15)12-4-2-1-3-5-12/h1-5,14,16H,6-11H2,(H3-,17,18,19,20,21,22)/p+1