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

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)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-(2-thienylmethyl)pyrrol-3-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]ethanone Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C19H25N3O2S/c1-14-11-18(15(2)22(14)12-17-5-4-10-25-17)19(24)13-20-6-8-21(9-7-20)16(3)23/h4-5,10-11H,6-9,12-13H2,1-3H3/p+1