[3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-oxidanylidene-propyl] 3-(5-iodanylfuran-2-yl)prop-2-enoate

Systemtic Name: [3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-oxidanylidene-propyl] 3-(5-iodanylfuran-2-yl)prop-2-enoate Openeye Name: [3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-oxo-propyl] 3-(5-iodo-2-furyl)prop-2-enoate CAS Name: 3-(5-iodo-2-furanyl)-2-propenoic acid [3-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-2-oxopropyl] ester IUPAC Name: [3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-oxopropyl] 3-(5-iodofuran-2-yl)prop-2-enoate Traditional Name: 3-(5-iodo-2-furyl)acrylic acid [3-[4-(2-furoyl)piperazin-1-ium-1-yl]-2-keto-propyl] ester Formula: C19H20IN2O6+ MolecularWeight: 499.27637

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)COC(=O)C=CC2=CC=C(O2)I)C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)COC(=O)C=CC2=CC=C(O2)I)C(=O)C3=CC=CO3

InChI

InChI=1S/C19H19IN2O6/c20-17-5-3-15(28-17)4-6-18(24)27-13-14(23)12-21-7-9-22(10-8-21)19(25)16-2-1-11-26-16/h1-6,11H,7-10,12-13H2/p+1