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

Systemtic Name: [2-[3-(3-ethoxyphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[3-(3-ethoxyphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3-(3-ethoxyphenyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[3-(3-ethoxyphenyl)pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-m-phenetylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C15H20NO7P2+ MolecularWeight: 388.269322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C[N+](=CC=C2)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C[N+](=CC=C2)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C15H19NO7P2/c1-2-23-14-7-3-5-12(9-14)13-6-4-8-16(10-13)11-15(24(17,18)19)25(20,21)22/h3-10,15H,2,11H2,1H3,(H3-,17,18,19,20,21,22)/p+1