1-(3-sulfopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-(3-sulfopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-(3-sulfopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-(3-sulfopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-(3-sulfopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-(3-sulfopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C13H17NO5S MolecularWeight: 299.34278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C2=CC=CC=C21)CCCS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1C(NC(C2=CC=CC=C21)CCCS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C13H17NO5S/c15-13(16)12-8-9-4-1-2-5-10(9)11(14-12)6-3-7-20(17,18)19/h1-2,4-5,11-12,14H,3,6-8H2,(H,15,16)(H,17,18,19)