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

Systemtic Name: 1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCN(CC3)C(=O)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCN(CC3)C(=O)C)C)C

InChI

InChI=1S/C22H29N3O2/c1-15-10-16(2)12-20(11-15)25-17(3)13-21(18(25)4)22(27)14-23-6-8-24(9-7-23)19(5)26/h10-13H,6-9,14H2,1-5H3/p+1