propan-2-yl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylate diiodide

Systemtic Name: propan-2-yl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylate diiodide Openeye Name: isopropyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylate diiodide CAS Name: 1-[3-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]propyl]-3-pyridin-1-iumcarboxylic acid propan-2-yl ester diiodide IUPAC Name: propan-2-yl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylate diiodide Traditional Name: 1-[3-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylic acid isopropyl ester diiodide Formula: C18H23I2N3O3 MolecularWeight: 583.20246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C[N+](=CC=C1)CCC[N+]2=CC=CC(=C2)C=NO.[I-].[I-]

Isomeric SMILES

CC(C)OC(=O)C1=C[N+](=CC=C1)CCC[N+]2=CC=CC(=C2)/C=N/O.[I-].[I-]

InChI

InChI=1S/C18H22N3O3.2HI/c1-15(2)24-18(22)17-7-4-9-21(14-17)11-5-10-20-8-3-6-16(13-20)12-19-23;;/h3-4,6-9,12-15H,5,10-11H2,1-2H3;2*1H/q+1;;/p-1/b19-12+;;