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

Systemtic Name: trimethyl-[(1S)-2-oxidanylidene-1-phenyl-2-[8-(4-phenylmethoxyphenoxy)octylamino]ethyl]azanium iodide Openeye Name: [(1S)-2-[8-(4-benzyloxyphenoxy)octylamino]-2-oxo-1-phenyl-ethyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[(1S)-2-oxo-1-phenyl-2-[8-(4-phenylmethoxyphenoxy)octylamino]ethyl]ammonium iodide IUPAC Name: trimethyl-[(1S)-2-oxo-1-phenyl-2-[8-(4-phenylmethoxyphenoxy)octylamino]ethyl]azanium iodide Traditional Name: [(1S)-2-[8-(4-benzoxyphenoxy)octylamino]-2-keto-1-phenyl-ethyl]-trimethyl-ammonium iodide Formula: C32H43IN2O3 MolecularWeight: 630.59989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H42N2O3.HI/c1-34(2,3)31(28-18-12-9-13-19-28)32(35)33-24-14-6-4-5-7-15-25-36-29-20-22-30(23-21-29)37-26-27-16-10-8-11-17-27;/h8-13,16-23,31H,4-7,14-15,24-26H2,1-3H3;1H/t31-;/m0./s1