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

Systemtic Name: 1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(4-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-(2,5-dimethyl-1-p-cumenyl-pyrrol-3-yl)ethanone Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2/c1-16(2)20-6-8-21(9-7-20)26-17(3)14-22(18(26)4)23(28)15-24-10-12-25(13-11-24)19(5)27/h6-9,14,16H,10-13,15H2,1-5H3/p+1