trimethyl-[4-[2-oxidanylidene-2-[8-(4-phenoxyphenoxy)octoxy]ethyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[2-oxidanylidene-2-[8-(4-phenoxyphenoxy)octoxy]ethyl]phenyl]azanium iodide Openeye Name: trimethyl-[4-[2-oxo-2-[8-(4-phenoxyphenoxy)octoxy]ethyl]phenyl]ammonium iodide CAS Name: trimethyl-[4-[2-oxo-2-[8-(4-phenoxyphenoxy)octoxy]ethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-oxo-2-[8-(4-phenoxyphenoxy)octoxy]ethyl]phenyl]azanium iodide Traditional Name: [4-[2-keto-2-[8-(4-phenoxyphenoxy)octoxy]ethyl]phenyl]-trimethyl-ammonium iodide Formula: C31H40INO4 MolecularWeight: 617.55807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCOC2=CC=C(C=C2)OC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCOC2=CC=C(C=C2)OC3=CC=CC=C3.[I-]

InChI

InChI=1S/C31H40NO4.HI/c1-32(2,3)27-17-15-26(16-18-27)25-31(33)35-24-12-7-5-4-6-11-23-34-28-19-21-30(22-20-28)36-29-13-9-8-10-14-29;/h8-10,13-22H,4-7,11-12,23-25H2,1-3H3;1H/q+1;/p-1