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

Systemtic Name: 7-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 7-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 7-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 7-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 7-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C10H12NO5P MolecularWeight: 257.179741

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C=CC(=C2)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1C(NCC2=C1C=CC(=C2)P(=O)(O)O)C(=O)O

InChI

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