N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-phenyl-3-(3-pyridyl)-N-[(3R)-quinuclidin-1-ium-3-yl]pyrazole-4-carboxamide CAS Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-phenyl-3-(3-pyridyl)-N-[(3R)-quinuclidin-1-ium-3-yl]pyrazole-4-carboxamide Formula: C22H24N5O+ MolecularWeight: 374.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H23N5O/c28-22(24-20-15-26-11-8-16(20)9-12-26)19-14-27(18-6-2-1-3-7-18)25-21(19)17-5-4-10-23-13-17/h1-7,10,13-14,16,20H,8-9,11-12,15H2,(H,24,28)/p+1/t20-/m0/s1