[2-[6-(1-methylpiperazin-1-ium-1-yl)pyridin-2-yl]furan-3-yl]phosphonic acid

Systemtic Name: [2-[6-(1-methylpiperazin-1-ium-1-yl)pyridin-2-yl]furan-3-yl]phosphonic acid Openeye Name: [2-[6-(1-methylpiperazin-1-ium-1-yl)-2-pyridyl]-3-furyl]phosphonic acid CAS Name: [2-[6-(1-methyl-1-piperazin-1-iumyl)-2-pyridinyl]-3-furanyl]phosphonic acid IUPAC Name: [2-[6-(1-methylpiperazin-1-ium-1-yl)pyridin-2-yl]furan-3-yl]phosphonic acid Traditional Name: [2-[6-(1-methylpiperazin-1-ium-1-yl)-2-pyridyl]-3-furyl]phosphonic acid Formula: C14H19N3O4P+ MolecularWeight: 324.292121

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C2=CC=CC(=N2)C3=C(C=CO3)P(=O)(O)O

Isomeric SMILES

C[N+]1(CCNCC1)C2=CC=CC(=N2)C3=C(C=CO3)P(=O)(O)O

InChI

InChI=1S/C14H18N3O4P/c1-17(8-6-15-7-9-17)13-4-2-3-11(16-13)14-12(5-10-21-14)22(18,19)20/h2-5,10,15H,6-9H2,1H3,(H-,18,19,20)/p+1