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

Systemtic Name: 1-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[2,5-dimethyl-1-[3-(methylthio)phenyl]-3-pyrrolyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-[3-(methylthio)phenyl]pyrrol-3-yl]ethanone Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-15-12-20(16(2)24(15)18-6-5-7-19(13-18)27-4)21(26)14-22-8-10-23(11-9-22)17(3)25/h5-7,12-13H,8-11,14H2,1-4H3/p+1