(E)-but-2-enedioic acid; 1-(dimethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(dimethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol Openeye Name: 1-(dimethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(dimethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol IUPAC Name: (E)-but-2-enedioic acid; 1-(dimethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol Traditional Name: 1-(dimethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol; fumaric acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1C2=C(CCN1)C(=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1C2=C(CCN1)C(=CC=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H18N2O.C4H4O4/c1-14(2)8-11-9-4-3-5-12(15)10(9)6-7-13-11;5-3(6)1-2-4(7)8/h3-5,11,13,15H,6-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+