[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-triethyl-azanium chloride

Systemtic Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-triethyl-azanium chloride Openeye Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-triethyl-ammonium chloride CAS Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-triethylammonium chloride IUPAC Name: [2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-triethylazanium chloride Traditional Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]-triethyl-ammonium chloride Formula: C20H28BrClN2O MolecularWeight: 427.80612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28BrN2O.ClH/c1-6-23(7-2,8-3)14-20(24)19-13-15(4)22(16(19)5)18-11-9-17(21)10-12-18;/h9-13H,6-8,14H2,1-5H3;1H/q+1;/p-1