[5-[[3-(2-acetamido-1-acetyloxy-3-methoxy-propoxy)phenyl]amino]-5-oxidanylidene-2-propyl-pentyl]sulfanium iodide

Systemtic Name: [5-[[3-(2-acetamido-1-acetyloxy-3-methoxy-propoxy)phenyl]amino]-5-oxidanylidene-2-propyl-pentyl]sulfanium iodide Openeye Name: [5-[3-(2-acetamido-1-acetoxy-3-methoxy-propoxy)anilino]-5-oxo-2-propyl-pentyl]sulfonium iodide CAS Name: [5-[3-(2-acetamido-1-acetyloxy-3-methoxypropoxy)anilino]-5-oxo-2-propylpentyl]sulfonium iodide IUPAC Name: [5-[3-(2-acetamido-1-acetyloxy-3-methoxypropoxy)anilino]-5-oxo-2-propylpentyl]sulfanium iodide Traditional Name: [5-[3-(2-acetamido-1-acetoxy-3-methoxy-propoxy)anilino]-5-keto-2-propyl-pentyl]sulfonium iodide Formula: C22H35IN2O6S MolecularWeight: 582.49257

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(=O)NC1=CC(=CC=C1)OC(C(COC)NC(=O)C)OC(=O)C)C[SH2+].[I-]

Isomeric SMILES

CCCC(CCC(=O)NC1=CC(=CC=C1)OC(C(COC)NC(=O)C)OC(=O)C)C[SH2+].[I-]

InChI

InChI=1S/C22H34N2O6S.HI/c1-5-7-17(14-31)10-11-21(27)24-18-8-6-9-19(12-18)30-22(29-16(3)26)20(13-28-4)23-15(2)25;/h6,8-9,12,17,20,22,31H,5,7,10-11,13-14H2,1-4H3,(H,23,25)(H,24,27);1H