(E)-but-2-enedioic acid; (6-chloranylpyridin-2-yl)-(1-methylpiperidin-4-yl)-phenyl-methanol

Systemtic Name: (E)-but-2-enedioic acid; (6-chloranylpyridin-2-yl)-(1-methylpiperidin-4-yl)-phenyl-methanol Openeye Name: (6-chloro-2-pyridyl)-(1-methyl-4-piperidyl)-phenyl-methanol; fumaric acid CAS Name: (E)-2-butenedioic acid; (6-chloro-2-pyridinyl)-(1-methyl-4-piperidinyl)-phenylmethanol IUPAC Name: (E)-but-2-enedioic acid; (6-chloropyridin-2-yl)-(1-methylpiperidin-4-yl)-phenylmethanol Traditional Name: (6-chloro-2-pyridyl)-(1-methyl-4-piperidyl)-phenyl-methanol; fumaric acid Formula: C22H25ClN2O5 MolecularWeight: 432.8973

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(C2=CC=CC=C2)(C3=NC(=CC=C3)Cl)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)C(C2=CC=CC=C2)(C3=NC(=CC=C3)Cl)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H21ClN2O.C4H4O4/c1-21-12-10-15(11-13-21)18(22,14-6-3-2-4-7-14)16-8-5-9-17(19)20-16;5-3(6)1-2-4(7)8/h2-9,15,22H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+