(1-propyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-2-yl-methanone bromide

Systemtic Name: (1-propyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-2-yl-methanone bromide Openeye Name: (1-propylquinuclidin-1-ium-3-yl)-(2-thienyl)methanone bromide CAS Name: (1-propyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-2-ylmethanone bromide IUPAC Name: (1-propyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-2-ylmethanone bromide Traditional Name: (1-propylquinuclidin-1-ium-3-yl)-(2-thienyl)methanone bromide Formula: C15H22BrNOS MolecularWeight: 344.31028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]12CCC(CC1)C(C2)C(=O)C3=CC=CS3.[Br-]

Isomeric SMILES

CCC[N+]12CCC(CC1)C(C2)C(=O)C3=CC=CS3.[Br-]

InChI

InChI=1S/C15H22NOS.BrH/c1-2-7-16-8-5-12(6-9-16)13(11-16)15(17)14-4-3-10-18-14;/h3-4,10,12-13H,2,5-9,11H2,1H3;1H/q+1;/p-1