1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]ethanone CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]ethanone Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]ethanone Formula: C25H30N3O2S+ MolecularWeight: 436.5896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-19-17-23(20(2)28(19)11-10-22-9-6-16-31-22)24(29)18-26-12-14-27(15-13-26)25(30)21-7-4-3-5-8-21/h3-9,16-17H,10-15,18H2,1-2H3/p+1