trimethyl-[1-[8-[4-(4-methylsulfanylphenyl)carbonyloxyphenoxy]octylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium iodide

Systemtic Name: trimethyl-[1-[8-[4-(4-methylsulfanylphenyl)carbonyloxyphenoxy]octylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium iodide Openeye Name: [1-benzyl-2-[8-[4-(4-methylsulfanylbenzoyl)oxyphenoxy]octylamino]-2-oxo-ethyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[1-[8-[4-[[4-(methylthio)phenyl]-oxomethoxy]phenoxy]octylamino]-1-oxo-3-phenylpropan-2-yl]ammonium iodide IUPAC Name: trimethyl-[1-[8-[4-(4-methylsulfanylbenzoyl)oxyphenoxy]octylamino]-1-oxo-3-phenylpropan-2-yl]azanium iodide Traditional Name: [1-benzyl-2-keto-2-[8-[4-[4-(methylthio)benzoyl]oxyphenoxy]octylamino]ethyl]-trimethyl-ammonium iodide Formula: C34H45IN2O4S MolecularWeight: 704.70157

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)NCCCCCCCCOC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)SC.[I-]

Isomeric SMILES

C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)NCCCCCCCCOC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)SC.[I-]

InChI

InChI=1S/C34H44N2O4S.HI/c1-36(2,3)32(26-27-14-10-9-11-15-27)33(37)35-24-12-7-5-6-8-13-25-39-29-18-20-30(21-19-29)40-34(38)28-16-22-31(41-4)23-17-28;/h9-11,14-23,32H,5-8,12-13,24-26H2,1-4H3;1H