trimethyl-[(1S)-1-phenyl-2-[8-(4-phenylmethoxyphenoxy)octoxy]ethyl]azanium iodide

Systemtic Name: trimethyl-[(1S)-1-phenyl-2-[8-(4-phenylmethoxyphenoxy)octoxy]ethyl]azanium iodide Openeye Name: [(1S)-2-[8-(4-benzyloxyphenoxy)octoxy]-1-phenyl-ethyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[(1S)-1-phenyl-2-[8-(4-phenylmethoxyphenoxy)octoxy]ethyl]ammonium iodide IUPAC Name: trimethyl-[(1S)-1-phenyl-2-[8-(4-phenylmethoxyphenoxy)octoxy]ethyl]azanium iodide Traditional Name: [(1S)-2-[8-(4-benzoxyphenoxy)octoxy]-1-phenyl-ethyl]-trimethyl-ammonium iodide Formula: C32H44INO3 MolecularWeight: 617.60113

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(COCCCCCCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](C)(C)[C@H](COCCCCCCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C32H44NO3.HI/c1-33(2,3)32(29-18-12-9-13-19-29)27-34-24-14-6-4-5-7-15-25-35-30-20-22-31(23-21-30)36-26-28-16-10-8-11-17-28;/h8-13,16-23,32H,4-7,14-15,24-27H2,1-3H3;1H/q+1;/p-1/t32-;/m1./s1