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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-2-[5-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]ethanone bromide Openeye Name: 2-(5-benzyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(5-chloro-2-thienyl)ethanone bromide CAS Name: 1-(5-chloro-2-thiophenyl)-2-[5-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]ethanone bromide IUPAC Name: 2-(5-benzyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(5-chlorothiophen-2-yl)ethanone bromide Traditional Name: 2-(2-benzyl-1-pyrrolin-1-ium-1-yl)-1-(5-chloro-2-thienyl)ethanone bromide Formula: C17H17BrClNOS MolecularWeight: 398.74498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[N+](C1)CC(=O)C2=CC=C(S2)Cl)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CC(=[N+](C1)CC(=O)C2=CC=C(S2)Cl)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H17ClNOS.BrH/c18-17-9-8-16(21-17)15(20)12-19-10-4-7-14(19)11-13-5-2-1-3-6-13;/h1-3,5-6,8-9H,4,7,10-12H2;1H/q+1;/p-1