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

Systemtic Name: [1-oxidanyl-1-phosphono-2-[2-(3-propoxyphenyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid Openeye Name: [1-hydroxy-1-phosphono-2-[2-(3-propoxyphenyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid CAS Name: [1-hydroxy-1-phosphono-2-[2-(3-propoxyphenyl)-1-pyridin-1-iumyl]ethyl]phosphonic acid IUPAC Name: [1-hydroxy-1-phosphono-2-[2-(3-propoxyphenyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid Traditional Name: [1-hydroxy-1-phosphono-2-[2-(3-propoxyphenyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid Formula: C16H22NO8P2+ MolecularWeight: 418.295302

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=CC=CC=[N+]2CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=CC=CC=[N+]2CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C16H21NO8P2/c1-2-10-25-14-7-5-6-13(11-14)15-8-3-4-9-17(15)12-16(18,26(19,20)21)27(22,23)24/h3-9,11,18H,2,10,12H2,1H3,(H3-,19,20,21,22,23,24)/p+1