3-[3-(4-ethynylphenoxy)propyl]-3-azabicyclo[2.2.2]octane

Systemtic Name: 3-[3-(4-ethynylphenoxy)propyl]-3-azabicyclo[2.2.2]octane Openeye Name: 3-[3-(4-ethynylphenoxy)propyl]-3-azabicyclo[2.2.2]octane CAS Name: 3-[3-(4-ethynylphenoxy)propyl]-3-azabicyclo[2.2.2]octane IUPAC Name: 3-[3-(4-ethynylphenoxy)propyl]-3-azabicyclo[2.2.2]octane Traditional Name: 3-[3-(4-ethynylphenoxy)propyl]-3-azabicyclo[2.2.2]octane Formula: C18H23NO MolecularWeight: 269.38132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)OCCCN2CC3CCC2CC3

Isomeric SMILES

C#CC1=CC=C(C=C1)OCCCN2CC3CCC2CC3

InChI

InChI=1S/C18H23NO/c1-2-15-6-10-18(11-7-15)20-13-3-12-19-14-16-4-8-17(19)9-5-16/h1,6-7,10-11,16-17H,3-5,8-9,12-14H2