[(3R)-3-[(2-methoxyphenyl)-(phenylcarbonyl)amino]-5-oxidanyl-5-oxidanylidene-pentyl]-trimethyl-azanium iodide

Systemtic Name: [(3R)-3-[(2-methoxyphenyl)-(phenylcarbonyl)amino]-5-oxidanyl-5-oxidanylidene-pentyl]-trimethyl-azanium iodide Openeye Name: [(3R)-3-(N-benzoyl-2-methoxy-anilino)-5-hydroxy-5-oxo-pentyl]-trimethyl-ammonium iodide CAS Name: [(3R)-3-(N-benzoyl-2-methoxyanilino)-5-hydroxy-5-oxopentyl]-trimethylammonium iodide IUPAC Name: [(3R)-3-(N-benzoyl-2-methoxyanilino)-5-hydroxy-5-oxopentyl]-trimethylazanium iodide Traditional Name: [(3R)-3-(N-benzoyl-2-methoxy-anilino)-5-hydroxy-5-keto-pentyl]-trimethyl-ammonium iodide Formula: C22H29IN2O4 MolecularWeight: 512.38113

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC(CC(=O)O)N(C1=CC=CC=C1OC)C(=O)C2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+](C)(C)CC[C@H](CC(=O)O)N(C1=CC=CC=C1OC)C(=O)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C22H28N2O4.HI/c1-24(2,3)15-14-18(16-21(25)26)23(19-12-8-9-13-20(19)28-4)22(27)17-10-6-5-7-11-17;/h5-13,18H,14-16H2,1-4H3;1H/t18-;/m1./s1