2-oxidanylpropane-1,2,3-tricarboxylic acid; 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine Openeye Name: citric acid; 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine Traditional Name: citric acid; 1,2,3,4-tetrahydroisoquinolin-1-ylmethylamine Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC=CC=C21)CN.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CNC(C2=CC=CC=C21)CN.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C10H14N2.C6H8O7/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-4,10,12H,5-7,11H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)