N-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-6-carboxamide; (E)-but-2-enedioic acid

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-6-carboxamide; (E)-but-2-enedioic acid Openeye Name: fumaric acid; N-quinuclidin-3-ylbenzothiophene-6-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-6-carboxamide; (E)-2-butenedioic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-6-carboxamide; (E)-but-2-enedioic acid Traditional Name: fumaric acid; N-quinuclidin-3-ylbenzothiophene-6-carboxamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC4=C(C=C3)C=CS4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=CC4=C(C=C3)C=CS4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H18N2OS.C4H4O4/c19-16(13-2-1-12-5-8-20-15(12)9-13)17-14-10-18-6-3-11(14)4-7-18;5-3(6)1-2-4(7)8/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1+