(2R,3S)-2-butyl-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octane

Systemtic Name: (2R,3S)-2-butyl-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octane Openeye Name: (2R,3S)-2-butyl-3-(p-tolyl)quinuclidine CAS Name: (2R,3S)-2-butyl-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octane IUPAC Name: (2R,3S)-2-butyl-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octane Traditional Name: (2R,3S)-2-butyl-3-(p-tolyl)quinuclidine Formula: C18H27N MolecularWeight: 257.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C2CCN1CC2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC[C@@H]1[C@@H](C2CCN1CC2)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H27N/c1-3-4-5-17-18(15-8-6-14(2)7-9-15)16-10-12-19(17)13-11-16/h6-9,16-18H,3-5,10-13H2,1-2H3/t17-,18-/m1/s1