[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-(4-methylphenyl)methanone

Systemtic Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-(4-methylphenyl)methanone Openeye Name: p-tolyl-[(3S)-quinuclidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-(4-methylphenyl)methanone IUPAC Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-(4-methylphenyl)methanone Traditional Name: p-tolyl-[(3S)-quinuclidin-1-ium-3-yl]methanone Formula: C15H20NO+ MolecularWeight: 230.3254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C[NH+]3CCC2CC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C15H19NO/c1-11-2-4-13(5-3-11)15(17)14-10-16-8-6-12(14)7-9-16/h2-5,12,14H,6-10H2,1H3/p+1/t14-/m1/s1