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

Systemtic Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-2-yl-methanone Openeye Name: (1-butylquinuclidin-1-ium-3-yl)-(2-thienyl)methanone CAS Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-2-ylmethanone IUPAC Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-2-ylmethanone Traditional Name: (1-butylquinuclidin-1-ium-3-yl)-(2-thienyl)methanone Formula: C16H24NOS+ MolecularWeight: 278.43286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24NOS/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/q+1