trimethyl-[1-oxidanylidene-3,3-diphenyl-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]azanium iodide

Systemtic Name: trimethyl-[1-oxidanylidene-3,3-diphenyl-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]azanium iodide Openeye Name: [1-benzhydryl-2-[8-(4-benzyloxyphenoxy)octylamino]-2-oxo-ethyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[1-oxo-3,3-diphenyl-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]ammonium iodide IUPAC Name: trimethyl-[1-oxo-3,3-diphenyl-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]azanium iodide Traditional Name: [1-benzhydryl-2-[8-(4-benzoxyphenoxy)octylamino]-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(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)NCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+](C)(C)C(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)NCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4.[I-]

InChI

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