(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-3-yl-methanone

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-3-yl-methanone Openeye Name: (1-methylquinuclidin-1-ium-3-yl)-(3-thienyl)methanone CAS Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-(3-thiophenyl)methanone IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-3-ylmethanone Traditional Name: (1-methylquinuclidin-1-ium-3-yl)-(3-thienyl)methanone Formula: C13H18NOS+ MolecularWeight: 236.35312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)C(=O)C3=CSC=C3

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)C(=O)C3=CSC=C3

InChI

InChI=1S/C13H18NOS/c1-14-5-2-10(3-6-14)12(8-14)13(15)11-4-7-16-9-11/h4,7,9-10,12H,2-3,5-6,8H2,1H3/q+1