2-(5-azanyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-bromophenyl)ethanone bromide

Systemtic Name: 2-(5-azanyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-bromophenyl)ethanone bromide Openeye Name: 2-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-bromophenyl)ethanone bromide CAS Name: 2-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-bromophenyl)ethanone bromide IUPAC Name: 2-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-bromophenyl)ethanone bromide Traditional Name: 2-(2-amino-1-pyrrolin-1-ium-1-yl)-1-(4-bromophenyl)ethanone bromide Formula: C12H14Br2N2O MolecularWeight: 362.06036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O.BrH/c13-10-5-3-9(4-6-10)11(16)8-15-7-1-2-12(15)14;/h3-6,14H,1-2,7-8H2;1H