3-(1,3-benzodioxol-5-yl)-5-(1-methylpyrrolidin-2-yl)pyridine; (E)-but-2-enedioic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(1-methylpyrrolidin-2-yl)pyridine; (E)-but-2-enedioic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-(1-methylpyrrolidin-2-yl)pyridine; fumaric acid CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(1-methyl-2-pyrrolidinyl)pyridine; (E)-2-butenedioic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-(1-methylpyrrolidin-2-yl)pyridine; (E)-but-2-enedioic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-(1-methylpyrrolidin-2-yl)pyridine; fumaric acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CN=CC(=C2)C3=CC4=C(C=C3)OCO4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCC1C2=CN=CC(=C2)C3=CC4=C(C=C3)OCO4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H18N2O2.C4H4O4/c1-19-6-2-3-15(19)14-7-13(9-18-10-14)12-4-5-16-17(8-12)21-11-20-16;5-3(6)1-2-4(7)8/h4-5,7-10,15H,2-3,6,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+