N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]isoquinoline-3-carboxamide Openeye Name: N-[(2S)-quinuclidin-2-yl]isoquinoline-3-carboxamide CAS Name: N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]isoquinoline-3-carboxamide Traditional Name: N-[(2S)-quinuclidin-2-yl]isoquinoline-3-carboxamide Formula: C17H19N3O MolecularWeight: 281.35226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1CC2NC(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

C1CN2CCC1C[C@H]2NC(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C17H19N3O/c21-17(19-16-9-12-5-7-20(16)8-6-12)15-10-13-3-1-2-4-14(13)11-18-15/h1-4,10-12,16H,5-9H2,(H,19,21)/t16-/m0/s1