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

Systemtic Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]ethanone CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]ethanone Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]ethanone Formula: C26H32N3O2S+ MolecularWeight: 450.61618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O2S/c1-19-17-25(20(2)29(19)11-10-24-5-4-16-32-24)26(31)18-27-12-14-28(15-13-27)23-8-6-22(7-9-23)21(3)30/h4-9,16-17H,10-15,18H2,1-3H3/p+1