(1-methyl-6-phosphono-5,7-dihydrocyclopenta[b]pyridin-1-ium-6-yl)phosphonic acid

Systemtic Name: (1-methyl-6-phosphono-5,7-dihydrocyclopenta[b]pyridin-1-ium-6-yl)phosphonic acid Openeye Name: (1-methyl-6-phosphono-5,7-dihydrocyclopenta[b]pyridin-1-ium-6-yl)phosphonic acid CAS Name: (1-methyl-6-phosphono-5,7-dihydrocyclopenta[b]pyridin-1-ium-6-yl)phosphonic acid IUPAC Name: (1-methyl-6-phosphono-5,7-dihydrocyclopenta[b]pyridin-1-ium-6-yl)phosphonic acid Traditional Name: (1-methyl-6-phosphono-1-pyrindan-1-ium-6-yl)phosphonic acid Formula: C9H14NO6P2+ MolecularWeight: 294.158082

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1CC(C2)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C[N+]1=CC=CC2=C1CC(C2)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H13NO6P2/c1-10-4-2-3-7-5-9(6-8(7)10,17(11,12)13)18(14,15)16/h2-4H,5-6H2,1H3,(H3-,11,12,13,14,15,16)/p+1