4-azanyl-5-chloranyl-2-(2-methoxyethoxy)-N-[(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)methyl]benzamide; (E)-but-2-enedioic acid; hydrate

Systemtic Name: 4-azanyl-5-chloranyl-2-(2-methoxyethoxy)-N-[(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)methyl]benzamide; (E)-but-2-enedioic acid; hydrate Openeye Name: 4-amino-5-chloro-N-[(3-hydroxyquinuclidin-3-yl)methyl]-2-(2-methoxyethoxy)benzamide; fumaric acid; hydrate CAS Name: 4-amino-5-chloro-N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-2-(2-methoxyethoxy)benzamide; (E)-2-butenedioic acid; hydrate IUPAC Name: 4-amino-5-chloro-N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-2-(2-methoxyethoxy)benzamide; (E)-but-2-enedioic acid; hydrate Traditional Name: 4-amino-5-chloro-N-[(3-hydroxyquinuclidin-3-yl)methyl]-2-(2-methoxyethoxy)benzamide; fumaric acid; hydrate Formula: C22H32ClN3O9 MolecularWeight: 517.95718

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC(=C(C=C1C(=O)NCC2(CN3CCC2CC3)O)Cl)N.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

COCCOC1=CC(=C(C=C1C(=O)NCC2(CN3CCC2CC3)O)Cl)N.C(=C/C(=O)O)\C(=O)O.O

InChI

InChI=1S/C18H26ClN3O4.C4H4O4.H2O/c1-25-6-7-26-16-9-15(20)14(19)8-13(16)17(23)21-10-18(24)11-22-4-2-12(18)3-5-22;5-3(6)1-2-4(7)8;/h8-9,12,24H,2-7,10-11,20H2,1H3,(H,21,23);1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;