N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methyl-indole-5-carboxamide; (E)-but-2-enedioic acid

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methyl-indole-5-carboxamide; (E)-but-2-enedioic acid Openeye Name: fumaric acid; 1-methyl-N-quinuclidin-3-yl-indole-5-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methyl-5-indolecarboxamide; (E)-2-butenedioic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-5-carboxamide; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 1-methyl-N-quinuclidin-3-yl-indole-5-carboxamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2)C(=O)NC3CN4CCC3CC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2)C(=O)NC3CN4CCC3CC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H21N3O.C4H4O4/c1-19-7-4-13-10-14(2-3-16(13)19)17(21)18-15-11-20-8-5-12(15)6-9-20;5-3(6)1-2-4(7)8/h2-4,7,10,12,15H,5-6,8-9,11H2,1H3,(H,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1+