3-(diphenylmethylidene)-1-propyl-1-azoniabicyclo[2.2.2]octane

Systemtic Name: 3-(diphenylmethylidene)-1-propyl-1-azoniabicyclo[2.2.2]octane Openeye Name: 3-benzhydrylidene-1-propyl-quinuclidin-1-ium CAS Name: 3-(diphenylmethylene)-1-propyl-1-azoniabicyclo[2.2.2]octane IUPAC Name: 3-benzhydrylidene-1-propyl-1-azoniabicyclo[2.2.2]octane Traditional Name: 3-benzhydrylidene-1-propyl-quinuclidin-1-ium Formula: C23H28N+ MolecularWeight: 318.47512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]12CCC(CC1)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2

Isomeric SMILES

CCC[N+]12CCC(CC1)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2

InChI

InChI=1S/C23H28N/c1-2-15-24-16-13-19(14-17-24)22(18-24)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19H,2,13-18H2,1H3/q+1