(E)-but-2-enedioic acid; [1-(6-chloranylpyridin-2-yl)-3-methyl-azetidin-3-yl]methanamine

Systemtic Name: (E)-but-2-enedioic acid; [1-(6-chloranylpyridin-2-yl)-3-methyl-azetidin-3-yl]methanamine Openeye Name: [1-(6-chloro-2-pyridyl)-3-methyl-azetidin-3-yl]methanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; [1-(6-chloro-2-pyridinyl)-3-methyl-3-azetidinyl]methanamine IUPAC Name: (E)-but-2-enedioic acid; [1-(6-chloropyridin-2-yl)-3-methylazetidin-3-yl]methanamine Traditional Name: [1-(6-chloro-2-pyridyl)-3-methyl-azetidin-3-yl]methylamine; fumaric acid Formula: C14H18ClN3O4 MolecularWeight: 327.76342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C1)C2=NC(=CC=C2)Cl)CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1(CN(C1)C2=NC(=CC=C2)Cl)CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H14ClN3.C4H4O4/c1-10(5-12)6-14(7-10)9-4-2-3-8(11)13-9;5-3(6)1-2-4(7)8/h2-4H,5-7,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+