1-(5-bromanylthiophen-2-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(5-bromo-2-thienyl)ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(5-bromothiophen-2-yl)ethanone Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(5-bromo-2-thienyl)ethanone Formula: C18H15BrNOS+ MolecularWeight: 373.2868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H15BrNOS/c19-18-7-6-17(22-18)16(21)13-20-10-8-15(9-11-20)12-14-4-2-1-3-5-14/h1-11H,12-13H2/q+1