[3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-oxidanylidene-propyl] 3-iodanylbenzoate

Systemtic Name: [3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-oxidanylidene-propyl] 3-iodanylbenzoate Openeye Name: [3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-oxo-propyl] 3-iodobenzoate CAS Name: 3-iodobenzoic 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-iodobenzoate Traditional Name: 3-iodobenzoic acid [3-[4-(2-furoyl)piperazin-1-ium-1-yl]-2-keto-propyl] ester Formula: C19H20IN2O5+ MolecularWeight: 483.27697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)COC(=O)C2=CC(=CC=C2)I)C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)COC(=O)C2=CC(=CC=C2)I)C(=O)C3=CC=CO3

InChI

InChI=1S/C19H19IN2O5/c20-15-4-1-3-14(11-15)19(25)27-13-16(23)12-21-6-8-22(9-7-21)18(24)17-5-2-10-26-17/h1-5,10-11H,6-9,12-13H2/p+1