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

Systemtic Name: 1-[1-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(2-chlorobenzyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H26ClN3O2/c1-15-12-19(16(2)25(15)13-18-6-4-5-7-20(18)22)21(27)14-23-8-10-24(11-9-23)17(3)26/h4-7,12H,8-11,13-14H2,1-3H3/p+1