trimethyl-[(2S)-1-phenyl-3-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]azanium iodide

Systemtic Name: trimethyl-[(2S)-1-phenyl-3-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]azanium iodide Openeye Name: [(1S)-1-benzyl-2-[8-(4-benzyloxyphenoxy)octoxy]ethyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[(2S)-1-phenyl-3-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]ammonium iodide IUPAC Name: trimethyl-[(2S)-1-phenyl-3-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]azanium iodide Traditional Name: [(1S)-1-[8-(4-benzoxyphenoxy)octoxymethyl]-2-phenyl-ethyl]-trimethyl-ammonium iodide Formula: C33H46INO3 MolecularWeight: 631.62771

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CC=CC=C1)COCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](C)(C)[C@@H](CC1=CC=CC=C1)COCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C33H46NO3.HI/c1-34(2,3)31(26-29-16-10-8-11-17-29)28-35-24-14-6-4-5-7-15-25-36-32-20-22-33(23-21-32)37-27-30-18-12-9-13-19-30;/h8-13,16-23,31H,4-7,14-15,24-28H2,1-3H3;1H/q+1;/p-1/t31-;/m0./s1