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

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-3-yl-methanone iodide Openeye Name: (1-methylquinuclidin-1-ium-3-yl)-(3-thienyl)methanone iodide CAS Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-(3-thiophenyl)methanone iodide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-3-ylmethanone iodide Traditional Name: (1-methylquinuclidin-1-ium-3-yl)-(3-thienyl)methanone iodide Formula: C13H18INOS MolecularWeight: 363.25759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18NOS.HI/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;1H/q+1;/p-1