2-[5-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-thiophen-2-yl-ethanone bromide

Systemtic Name: 2-[5-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-(5-benzyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(2-thienyl)ethanone bromide CAS Name: 2-[5-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-thiophen-2-ylethanone bromide IUPAC Name: 2-(5-benzyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-thiophen-2-ylethanone bromide Traditional Name: 2-(2-benzyl-1-pyrrolin-1-ium-1-yl)-1-(2-thienyl)ethanone bromide Formula: C17H18BrNOS MolecularWeight: 364.29992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[N+](C1)CC(=O)C2=CC=CS2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CC(=[N+](C1)CC(=O)C2=CC=CS2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H18NOS.BrH/c19-16(17-9-5-11-20-17)13-18-10-4-8-15(18)12-14-6-2-1-3-7-14;/h1-3,5-7,9,11H,4,8,10,12-13H2;1H/q+1;/p-1