[2-[3-[(3-methylphenyl)methyl]pyridin-1-ium-1-yl]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[3-[(3-methylphenyl)methyl]pyridin-1-ium-1-yl]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-[3-(m-tolylmethyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[3-[(3-methylphenyl)methyl]-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[3-[(3-methylphenyl)methyl]pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-[3-(3-methylbenzyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Formula: C15H20NO7P2+ MolecularWeight: 388.269322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C[N+](=CC=C2)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C[N+](=CC=C2)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C15H19NO7P2/c1-12-4-2-5-13(8-12)9-14-6-3-7-16(10-14)11-15(17,24(18,19)20)25(21,22)23/h2-8,10,17H,9,11H2,1H3,(H3-,18,19,20,21,22,23)/p+1