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

Systemtic Name: (1-ethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-2-yl-methanone bromide Openeye Name: (1-ethylquinuclidin-1-ium-3-yl)-(2-thienyl)methanone bromide CAS Name: (1-ethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-2-ylmethanone bromide IUPAC Name: (1-ethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-2-ylmethanone bromide Traditional Name: (1-ethylquinuclidin-1-ium-3-yl)-(2-thienyl)methanone bromide Formula: C14H20BrNOS MolecularWeight: 330.2837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20NOS.BrH/c1-2-15-7-5-11(6-8-15)12(10-15)14(16)13-4-3-9-17-13;/h3-4,9,11-12H,2,5-8,10H2,1H3;1H/q+1;/p-1