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

Systemtic Name: trimethyl-[(2S)-1-oxidanylidene-3-phenyl-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]azanium iodide Openeye Name: [(1S)-1-benzyl-2-[8-(4-benzyloxyphenoxy)octylamino]-2-oxo-ethyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[(2S)-1-oxo-3-phenyl-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]ammonium iodide IUPAC Name: trimethyl-[(2S)-1-oxo-3-phenyl-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]azanium iodide Traditional Name: [(1S)-2-[8-(4-benzoxyphenoxy)octylamino]-1-benzyl-2-keto-ethyl]-trimethyl-ammonium iodide Formula: C33H45IN2O3 MolecularWeight: 644.62647

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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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C33H44N2O3.HI/c1-35(2,3)32(26-28-16-10-8-11-17-28)33(36)34-24-14-6-4-5-7-15-25-37-30-20-22-31(23-21-30)38-27-29-18-12-9-13-19-29;/h8-13,16-23,32H,4-7,14-15,24-27H2,1-3H3;1H/t32-;/m0./s1