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

Systemtic Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone Formula: C23H26ClN4O+ MolecularWeight: 409.93174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H25ClN4O/c1-17-15-21(18(2)28(17)20-8-6-19(24)7-9-20)22(29)16-26-11-13-27(14-12-26)23-5-3-4-10-25-23/h3-10,15H,11-14,16H2,1-2H3/p+1