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

Systemtic Name: [2-[3-(3-methylphenyl)pyridin-1-ium-1-yl]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-[3-(m-tolyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[3-(3-methylphenyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[3-(3-methylphenyl)pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-[3-(m-tolyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Formula: C14H18NO7P2+ MolecularWeight: 374.242742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO7P2/c1-11-4-2-5-12(8-11)13-6-3-7-15(9-13)10-14(16,23(17,18)19)24(20,21)22/h2-9,16H,10H2,1H3,(H3-,17,18,19,20,21,22)/p+1