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

Systemtic Name: trimethyl-[1-oxidanylidene-3-phenyl-1-[8-(3-phenyl-4-phenylmethoxy-phenoxy)octylamino]propan-2-yl]azanium iodide Openeye Name: [1-benzyl-2-[8-(4-benzyloxy-3-phenyl-phenoxy)octylamino]-2-oxo-ethyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[1-oxo-3-phenyl-1-[8-(3-phenyl-4-phenylmethoxyphenoxy)octylamino]propan-2-yl]ammonium iodide IUPAC Name: trimethyl-[1-oxo-3-phenyl-1-[8-(3-phenyl-4-phenylmethoxyphenoxy)octylamino]propan-2-yl]azanium iodide Traditional Name: [2-[8-(4-benzoxy-3-phenyl-phenoxy)octylamino]-1-benzyl-2-keto-ethyl]-trimethyl-ammonium iodide Formula: C39H49IN2O3 MolecularWeight: 720.72243

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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)OCC3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)NCCCCCCCCOC2=CC(=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C39H48N2O3.HI/c1-41(2,3)37(29-32-19-11-8-12-20-32)39(42)40-27-17-6-4-5-7-18-28-43-35-25-26-38(44-31-33-21-13-9-14-22-33)36(30-35)34-23-15-10-16-24-34;/h8-16,19-26,30,37H,4-7,17-18,27-29,31H2,1-3H3;1H