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

Systemtic Name: (E)-but-2-enedioic acid; 2-(dimethylaminomethyl)-1-pyridin-2-yl-cyclohexan-1-ol Openeye Name: 2-(dimethylaminomethyl)-1-(2-pyridyl)cyclohexanol; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(dimethylaminomethyl)-1-(2-pyridinyl)-1-cyclohexanol IUPAC Name: (E)-but-2-enedioic acid; 2-(dimethylaminomethyl)-1-pyridin-2-ylcyclohexan-1-ol Traditional Name: 2-(dimethylaminomethyl)-1-(2-pyridyl)cyclohexanol; fumaric acid Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1(C2=CC=CC=N2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1CCCCC1(C2=CC=CC=N2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H22N2O.C4H4O4/c1-16(2)11-12-7-3-5-9-14(12,17)13-8-4-6-10-15-13;5-3(6)1-2-4(7)8/h4,6,8,10,12,17H,3,5,7,9,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+