2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanone Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C21H26ClN3O2/c1-13-5-6-17(22)11-18(13)25-9-7-24(8-10-25)12-19(27)21-14(2)20(16(4)26)15(3)23-21/h5-6,11,23H,7-10,12H2,1-4H3/p+1