1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-[4-(2-furoyl)piperazin-1-ium-1-yl]ethanone Formula: C21H26ClN4O3+ MolecularWeight: 417.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H25ClN4O3/c22-17-3-1-4-18(15-17)24-10-12-25(13-11-24)20(27)16-23-6-8-26(9-7-23)21(28)19-5-2-14-29-19/h1-5,14-15H,6-13,16H2/p+1