N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H23ClN3O3S+ MolecularWeight: 456.96502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H22ClN3O3S/c24-17-7-9-18(10-8-17)31-21-6-2-1-4-19(21)25-22(28)16-26-11-13-27(14-12-26)23(29)20-5-3-15-30-20/h1-10,15H,11-14,16H2,(H,25,28)/p+1