(E)-but-2-enedioic acid; 1-(6-chloranylpyridin-2-yl)-2-(dimethylaminomethyl)cyclohexan-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(6-chloranylpyridin-2-yl)-2-(dimethylaminomethyl)cyclohexan-1-ol Openeye Name: 1-(6-chloro-2-pyridyl)-2-(dimethylaminomethyl)cyclohexanol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(6-chloro-2-pyridinyl)-2-(dimethylaminomethyl)-1-cyclohexanol IUPAC Name: (E)-but-2-enedioic acid; 1-(6-chloropyridin-2-yl)-2-(dimethylaminomethyl)cyclohexan-1-ol Traditional Name: 1-(6-chloro-2-pyridyl)-2-(dimethylaminomethyl)cyclohexanol; fumaric acid Formula: C18H25ClN2O5 MolecularWeight: 384.8545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1(C2=NC(=CC=C2)Cl)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1CCCCC1(C2=NC(=CC=C2)Cl)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H21ClN2O.C4H4O4/c1-17(2)10-11-6-3-4-9-14(11,18)12-7-5-8-13(15)16-12;5-3(6)1-2-4(7)8/h5,7-8,11,18H,3-4,6,9-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+