N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: 4-amino-5-chloro-N-[(3S)-quinuclidin-3-yl]-2,3-dihydrobenzofuran-7-carboxamide CAS Name: 4-amino-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: 4-amino-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: 4-amino-5-chloro-N-[(3S)-quinuclidin-3-yl]coumaran-7-carboxamide Formula: C16H20ClN3O2 MolecularWeight: 321.8019

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC(=C(C4=C3OCC4)N)Cl

Isomeric SMILES

C1CN2CCC1[C@@H](C2)NC(=O)C3=CC(=C(C4=C3OCC4)N)Cl

InChI

InChI=1S/C16H20ClN3O2/c17-12-7-11(15-10(14(12)18)3-6-22-15)16(21)19-13-8-20-4-1-9(13)2-5-20/h7,9,13H,1-6,8,18H2,(H,19,21)/t13-/m1/s1