2-[(5-methyl-2-oxidanyl-phenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one

Systemtic Name: 2-[(5-methyl-2-oxidanyl-phenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one Openeye Name: 2-[(2-hydroxy-5-methyl-phenyl)methyl]quinuclidin-1-ium-3-one CAS Name: 2-[(2-hydroxy-5-methylphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one IUPAC Name: 2-[(2-hydroxy-5-methylphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one Traditional Name: 2-(2-hydroxy-5-methyl-benzyl)quinuclidin-1-ium-3-one Formula: C15H20NO2+ MolecularWeight: 246.3248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)CC2C(=O)C3CC[NH+]2CC3

Isomeric SMILES

CC1=CC(=C(C=C1)O)CC2C(=O)C3CC[NH+]2CC3

InChI

InChI=1S/C15H19NO2/c1-10-2-3-14(17)12(8-10)9-13-15(18)11-4-6-16(13)7-5-11/h2-3,8,11,13,17H,4-7,9H2,1H3/p+1