trimethyl-[1-[8-[4-(4-nitrophenyl)carbonyloxyphenoxy]octoxy]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium iodide

Systemtic Name: trimethyl-[1-[8-[4-(4-nitrophenyl)carbonyloxyphenoxy]octoxy]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium iodide Openeye Name: [1-benzyl-2-[8-[4-(4-nitrobenzoyl)oxyphenoxy]octoxy]-2-oxo-ethyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[1-[8-[4-[(4-nitrophenyl)-oxomethoxy]phenoxy]octoxy]-1-oxo-3-phenylpropan-2-yl]ammonium iodide IUPAC Name: trimethyl-[1-[8-[4-(4-nitrobenzoyl)oxyphenoxy]octoxy]-1-oxo-3-phenylpropan-2-yl]azanium iodide Traditional Name: [1-benzyl-2-keto-2-[8-[4-(4-nitrobenzoyl)oxyphenoxy]octoxy]ethyl]-trimethyl-ammonium iodide Formula: C33H41IN2O7 MolecularWeight: 704.59231

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C33H41N2O7.HI/c1-35(2,3)31(25-26-13-9-8-10-14-26)33(37)41-24-12-7-5-4-6-11-23-40-29-19-21-30(22-20-29)42-32(36)27-15-17-28(18-16-27)34(38)39;/h8-10,13-22,31H,4-7,11-12,23-25H2,1-3H3;1H/q+1;/p-1