3-[2-(4-chlorophenyl)ethyl]-1-heptyl-1-azoniabicyclo[2.2.2]octane

Systemtic Name: 3-[2-(4-chlorophenyl)ethyl]-1-heptyl-1-azoniabicyclo[2.2.2]octane Openeye Name: 3-[2-(4-chlorophenyl)ethyl]-1-heptyl-quinuclidin-1-ium CAS Name: 3-[2-(4-chlorophenyl)ethyl]-1-heptyl-1-azoniabicyclo[2.2.2]octane IUPAC Name: 3-[2-(4-chlorophenyl)ethyl]-1-heptyl-1-azoniabicyclo[2.2.2]octane Traditional Name: 3-[2-(4-chlorophenyl)ethyl]-1-heptyl-quinuclidin-1-ium Formula: C22H35ClN+ MolecularWeight: 348.973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]12CCC(CC1)C(C2)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCC[N+]12CCC(CC1)C(C2)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H35ClN/c1-2-3-4-5-6-15-24-16-13-20(14-17-24)21(18-24)10-7-19-8-11-22(23)12-9-19/h8-9,11-12,20-21H,2-7,10,13-18H2,1H3/q+1