(2S)-2-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-1-phenyl-2-pyridin-2-yl-ethanone

Systemtic Name: (2S)-2-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-1-phenyl-2-pyridin-2-yl-ethanone Openeye Name: (2S)-1-phenyl-2-(2-pyridyl)-2-[(3S)-quinuclidin-1-ium-3-yl]ethanone CAS Name: (2S)-2-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-1-phenyl-2-(2-pyridinyl)ethanone IUPAC Name: (2S)-2-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-1-phenyl-2-pyridin-2-ylethanone Traditional Name: (2S)-1-phenyl-2-(2-pyridyl)-2-[(3S)-quinuclidin-1-ium-3-yl]ethanone Formula: C20H23N2O+ MolecularWeight: 307.40942

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)C(C3=CC=CC=N3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)[C@@H](C3=CC=CC=N3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H22N2O/c23-20(16-6-2-1-3-7-16)19(18-8-4-5-11-21-18)17-14-22-12-9-15(17)10-13-22/h1-8,11,15,17,19H,9-10,12-14H2/p+1/t17-,19-/m0/s1