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

Systemtic Name: (2-isoquinolin-2-ium-1-yl-1-phosphono-ethyl)phosphonic acid Openeye Name: (2-isoquinolin-2-ium-1-yl-1-phosphono-ethyl)phosphonic acid CAS Name: [2-(1-isoquinolin-2-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: (2-isoquinolin-2-ium-1-yl-1-phosphonoethyl)phosphonic acid Traditional Name: (2-isoquinolin-2-ium-1-yl-1-phosphono-ethyl)phosphonic acid Formula: C11H14NO6P2+ MolecularWeight: 318.179482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C[NH+]=C2CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C[NH+]=C2CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H13NO6P2/c13-19(14,15)11(20(16,17)18)7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6,11H,7H2,(H2,13,14,15)(H2,16,17,18)/p+1