N-[3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-1-ium-3-yl-methyl]-4,5-dimethyl-thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-1-ium-3-yl-methyl]-4,5-dimethyl-thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-1-ium-3-yl-methyl]-4,5-dimethyl-2-thienyl]furan-2-carboxamide CAS Name: N-[3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-(3-pyridin-1-iumyl)methyl]-4,5-dimethyl-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-1-ium-3-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-1-ium-3-yl-methyl]-4,5-dimethyl-2-thienyl]-2-furamide Formula: C27H29FN4O2S+2 MolecularWeight: 492.608163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=C[NH+]=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F)NC(=O)C5=CC=CO5)C

Isomeric SMILES

CC1=C(SC(=C1C(C2=C[NH+]=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F)NC(=O)C5=CC=CO5)C

InChI

InChI=1S/C27H27FN4O2S/c1-18-19(2)35-27(30-26(33)23-6-4-16-34-23)24(18)25(20-5-3-11-29-17-20)32-14-12-31(13-15-32)22-9-7-21(28)8-10-22/h3-11,16-17,25H,12-15H2,1-2H3,(H,30,33)/p+2