trimethyl-[4-[2-[8-(3-nitrophenoxy)octoxy]-2-oxidanylidene-ethyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[2-[8-(3-nitrophenoxy)octoxy]-2-oxidanylidene-ethyl]phenyl]azanium iodide Openeye Name: trimethyl-[4-[2-[8-(3-nitrophenoxy)octoxy]-2-oxo-ethyl]phenyl]ammonium iodide CAS Name: trimethyl-[4-[2-[8-(3-nitrophenoxy)octoxy]-2-oxoethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-[8-(3-nitrophenoxy)octoxy]-2-oxoethyl]phenyl]azanium iodide Traditional Name: [4-[2-keto-2-[8-(3-nitrophenoxy)octoxy]ethyl]phenyl]-trimethyl-ammonium iodide Formula: C25H35IN2O5 MolecularWeight: 570.46027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N2O5.HI/c1-27(2,3)23-15-13-21(14-16-23)19-25(28)32-18-9-7-5-4-6-8-17-31-24-12-10-11-22(20-24)26(29)30;/h10-16,20H,4-9,17-19H2,1-3H3;1H/q+1;/p-1