6-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate

Systemtic Name: 6-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate Openeye Name: 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate CAS Name: 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate IUPAC Name: 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate Traditional Name: 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate Formula: C10H13NO4 MolecularWeight: 211.21452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C=C(C=C2)O)C(=O)O.O

Isomeric SMILES

C1C(NCC2=C1C=C(C=C2)O)C(=O)O.O

InChI

InChI=1S/C10H11NO3.H2O/c12-8-2-1-6-5-11-9(10(13)14)4-7(6)3-8;/h1-3,9,11-12H,4-5H2,(H,13,14);1H2