2,3-bis(oxidanyl)butanedioic acid; 6-(phenylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine; trihydrate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 6-(phenylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine; trihydrate Openeye Name: 6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine; 2,3-dihydroxybutanedioic acid; trihydrate CAS Name: 2,3-dihydroxybutanedioic acid; 6-(phenylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine; trihydrate IUPAC Name: 6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine; 2,3-dihydroxybutanedioic acid; trihydrate Traditional Name: 6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine; tartaric acid; trihydrate Formula: C18H32N2O9 MolecularWeight: 420.45468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(CC2NC1)CC3=CC=CC=C3.C(C(C(=O)O)O)(C(=O)O)O.O.O.O

Isomeric SMILES

C1CC2CN(CC2NC1)CC3=CC=CC=C3.C(C(C(=O)O)O)(C(=O)O)O.O.O.O

InChI

InChI=1S/C14H20N2.C4H6O6.3H2O/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16;5-1(3(7)8)2(6)4(9)10;;;/h1-3,5-6,13-15H,4,7-11H2;1-2,5-6H,(H,7,8)(H,9,10);3*1H2