(2S)-N,1-dimethyl-N-phenyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide

Systemtic Name: (2S)-N,1-dimethyl-N-phenyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide Openeye Name: (2S)-N,1-dimethyl-N-phenyl-quinuclidin-1-ium-2-carboxamide CAS Name: (2S)-N,1-dimethyl-N-phenyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide IUPAC Name: (2S)-N,1-dimethyl-N-phenyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide Traditional Name: (2S)-N,1-dimethyl-N-phenyl-quinuclidin-1-ium-2-carboxamide Formula: C16H23N2O+ MolecularWeight: 259.36662

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2CC3CC[N+]2(CC3)C

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)[C@@H]2CC3CC[N+]2(CC3)C

InChI

InChI=1S/C16H23N2O/c1-17(14-6-4-3-5-7-14)16(19)15-12-13-8-10-18(15,2)11-9-13/h3-7,13,15H,8-12H2,1-2H3/q+1/t13?,15-,18?/m0/s1