[(isoquinolin-2-ium-1-ylamino)-phosphono-methyl]phosphonic acid

Systemtic Name: [(isoquinolin-2-ium-1-ylamino)-phosphono-methyl]phosphonic acid Openeye Name: [(isoquinolin-2-ium-1-ylamino)-phosphono-methyl]phosphonic acid CAS Name: [(1-isoquinolin-2-iumylamino)-phosphonomethyl]phosphonic acid IUPAC Name: [(isoquinolin-2-ium-1-ylamino)-phosphonomethyl]phosphonic acid Traditional Name: [(isoquinolin-2-ium-1-ylamino)-phosphono-methyl]phosphonic acid Formula: C10H13N2O6P2+ MolecularWeight: 319.167542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C[NH+]=C2NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C[NH+]=C2NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H12N2O6P2/c13-19(14,15)10(20(16,17)18)12-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)/p+1