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

Systemtic Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-2-yl-methanone bromide Openeye Name: (1-butylquinuclidin-1-ium-3-yl)-(2-thienyl)methanone bromide CAS Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-2-ylmethanone bromide IUPAC Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-2-ylmethanone bromide Traditional Name: (1-butylquinuclidin-1-ium-3-yl)-(2-thienyl)methanone bromide Formula: C16H24BrNOS MolecularWeight: 358.33686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24NOS.BrH/c1-2-3-8-17-9-6-13(7-10-17)14(12-17)16(18)15-5-4-11-19-15;/h4-5,11,13-14H,2-3,6-10,12H2,1H3;1H/q+1;/p-1