5-phosphono-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

Systemtic Name: 5-phosphono-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid Openeye Name: 5-phosphono-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid CAS Name: 5-phosphono-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid IUPAC Name: 5-phosphono-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid Traditional Name: 5-phosphono-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid Formula: C10H12NO5P MolecularWeight: 257.179741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=C1C(=CC=C2)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1CNC(C2=C1C(=CC=C2)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C10H12NO5P/c12-10(13)9-7-2-1-3-8(17(14,15)16)6(7)4-5-11-9/h1-3,9,11H,4-5H2,(H,12,13)(H2,14,15,16)