[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-phenyl-methanone

Systemtic Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-phenyl-methanone Openeye Name: phenyl-[(3S)-quinuclidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-phenylmethanone IUPAC Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-phenylmethanone Traditional Name: phenyl-[(3S)-quinuclidin-1-ium-3-yl]methanone Formula: C14H18NO+ MolecularWeight: 216.29882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO/c16-14(12-4-2-1-3-5-12)13-10-15-8-6-11(13)7-9-15/h1-5,11,13H,6-10H2/p+1/t13-/m1/s1