1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H24ClN3O2/c1-14-12-19(15(2)24(14)18-6-4-17(21)5-7-18)20(26)13-22-8-10-23(11-9-22)16(3)25/h4-7,12H,8-11,13H2,1-3H3/p+1