trimethyl-[1-oxidanylidene-4-phenyl-1-[8-(4-phenylmethoxyphenoxy)octoxy]butan-2-yl]azanium iodide

Systemtic Name: trimethyl-[1-oxidanylidene-4-phenyl-1-[8-(4-phenylmethoxyphenoxy)octoxy]butan-2-yl]azanium iodide Openeye Name: [1-[8-(4-benzyloxyphenoxy)octoxycarbonyl]-3-phenyl-propyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[1-oxo-4-phenyl-1-[8-(4-phenylmethoxyphenoxy)octoxy]butan-2-yl]ammonium iodide IUPAC Name: trimethyl-[1-oxo-4-phenyl-1-[8-(4-phenylmethoxyphenoxy)octoxy]butan-2-yl]azanium iodide Traditional Name: [1-[8-(4-benzoxyphenoxy)octoxycarbonyl]-3-phenyl-propyl]-trimethyl-ammonium iodide Formula: C34H46INO4 MolecularWeight: 659.63781

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CCC1=CC=CC=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](C)(C)C(CCC1=CC=CC=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C34H46NO4.HI/c1-35(2,3)33(25-20-29-16-10-8-11-17-29)34(36)38-27-15-7-5-4-6-14-26-37-31-21-23-32(24-22-31)39-28-30-18-12-9-13-19-30;/h8-13,16-19,21-24,33H,4-7,14-15,20,25-28H2,1-3H3;1H/q+1;/p-1