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

Systemtic Name: sodium 4-[2,4,6-tris(iodanyl)-3-piperidin-1-ylcarbonyl-phenoxy]butanoate Openeye Name: sodium 4-[2,4,6-triiodo-3-(piperidine-1-carbonyl)phenoxy]butanoate CAS Name: sodium 4-[2,4,6-triiodo-3-[oxo(1-piperidinyl)methyl]phenoxy]butanoate IUPAC Name: sodium 4-[2,4,6-triiodo-3-(piperidine-1-carbonyl)phenoxy]butanoate Traditional Name: sodium 4-[2,4,6-triiodo-3-(piperidine-1-carbonyl)phenoxy]butyrate Formula: C16H17I3NNaO4 MolecularWeight: 691.01366

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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/p-1