1-(5-bromanylthiophen-2-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(5-bromo-2-thienyl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(5-bromothiophen-2-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(5-bromo-2-thienyl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone Formula: C16H19BrNOS+ MolecularWeight: 353.29716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C16H19BrNOS/c1-3-12(4-2)13-7-9-18(10-8-13)11-14(19)15-5-6-16(17)20-15/h5-10,12H,3-4,11H2,1-2H3/q+1