4-fluoranyl-N-[3-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-thiophen-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[3-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-thiophen-2-yl]benzamide Openeye Name: 4-fluoro-N-[3-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-2-thienyl]benzamide CAS Name: 4-fluoro-N-[3-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-4,5-dimethyl-2-thiophenyl]benzamide IUPAC Name: 4-fluoro-N-[3-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide Traditional Name: 4-fluoro-N-[3-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-2-thienyl]benzamide Formula: C23H25FN3O3S+ MolecularWeight: 442.526303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)NC(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(SC(=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)NC(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C23H24FN3O3S/c1-15-16(2)31-22(25-21(28)17-5-7-18(24)8-6-17)19(15)14-26-9-11-27(12-10-26)23(29)20-4-3-13-30-20/h3-8,13H,9-12,14H2,1-2H3,(H,25,28)/p+1