(2-isoquinolin-2-ium-2-yl-1-oxidanyl-1-phosphono-ethyl)phosphonic acid

Systemtic Name: (2-isoquinolin-2-ium-2-yl-1-oxidanyl-1-phosphono-ethyl)phosphonic acid Openeye Name: (1-hydroxy-2-isoquinolin-2-ium-2-yl-1-phosphono-ethyl)phosphonic acid CAS Name: [1-hydroxy-2-(2-isoquinolin-2-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: (1-hydroxy-2-isoquinolin-2-ium-2-yl-1-phosphonoethyl)phosphonic acid Traditional Name: (1-hydroxy-2-isoquinolin-2-ium-2-yl-1-phosphono-ethyl)phosphonic acid Formula: C11H14NO7P2+ MolecularWeight: 334.178882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H13NO7P2/c13-11(20(14,15)16,21(17,18)19)8-12-6-5-9-3-1-2-4-10(9)7-12/h1-7,13H,8H2,(H3-,14,15,16,17,18,19)/p+1