4-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane

Systemtic Name: 4-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane Openeye Name: 4-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane CAS Name: 4-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane IUPAC Name: 4-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane Traditional Name: 4-(4-tert-butyl-2,6-dimethyl-benzyl)-1-aza-4-azoniabicyclo[2.2.2]octane Formula: C19H31N2+ MolecularWeight: 287.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C[N+]23CCN(CC2)CC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1C[N+]23CCN(CC2)CC3)C)C(C)(C)C

InChI

InChI=1S/C19H31N2/c1-15-12-17(19(3,4)5)13-16(2)18(15)14-21-9-6-20(7-10-21)8-11-21/h12-13H,6-11,14H2,1-5H3/q+1