sodium 4-[2,4,6-tris(iodanyl)-3-piperidin-1-ylcarbonyl-phenoxy]butanoic acid

Systemtic Name: sodium 4-[2,4,6-tris(iodanyl)-3-piperidin-1-ylcarbonyl-phenoxy]butanoic acid Openeye Name: sodium 4-[2,4,6-triiodo-3-(piperidine-1-carbonyl)phenoxy]butanoic acid CAS Name: sodium 4-[2,4,6-triiodo-3-[oxo(1-piperidinyl)methyl]phenoxy]butanoic acid IUPAC Name: sodium 4-[2,4,6-triiodo-3-(piperidine-1-carbonyl)phenoxy]butanoic acid Traditional Name: sodium 4-[2,4,6-triiodo-3-(piperidine-1-carbonyl)phenoxy]butyric acid Formula: C16H18I3NNaO4+ MolecularWeight: 692.0216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C(=C(C=C2I)I)OCCCC(=O)O)I.[Na+]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C(=C(C=C2I)I)OCCCC(=O)O)I.[Na+]

InChI

InChI=1S/C16H18I3NO4.Na/c17-10-9-11(18)15(24-8-4-5-12(21)22)14(19)13(10)16(23)20-6-2-1-3-7-20;/h9H,1-8H2,(H,21,22);/q;+1