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

Systemtic Name: 1-(5-methylthiophen-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-methyl-2-thienyl)ethanone bromide CAS Name: 1-(5-methyl-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-methylthiophen-2-yl)ethanone bromide Traditional Name: 2-(2-benzyl-1-pyrrolin-1-ium-1-yl)-1-(5-methyl-2-thienyl)ethanone bromide Formula: C18H20BrNOS MolecularWeight: 378.3265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)C[N+]2=C(CCC2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=CC=C(S1)C(=O)C[N+]2=C(CCC2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H20NOS.BrH/c1-14-9-10-18(21-14)17(20)13-19-11-5-8-16(19)12-15-6-3-2-4-7-15;/h2-4,6-7,9-10H,5,8,11-13H2,1H3;1H/q+1;/p-1