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

Systemtic Name: trimethyl-[3-(4-nitrophenyl)-1-oxidanylidene-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]azanium Openeye Name: [2-[8-(4-benzyloxyphenoxy)octoxy]-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]-trimethyl-ammonium CAS Name: trimethyl-[3-(4-nitrophenyl)-1-oxo-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]ammonium IUPAC Name: trimethyl-[3-(4-nitrophenyl)-1-oxo-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]azanium Traditional Name: [2-[8-(4-benzoxyphenoxy)octoxy]-2-keto-1-(4-nitrobenzyl)ethyl]-trimethyl-ammonium Formula: C33H43N2O6+ MolecularWeight: 563.70432

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[N+](C)(C)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C33H43N2O6/c1-35(2,3)32(25-27-15-17-29(18-16-27)34(37)38)33(36)40-24-12-7-5-4-6-11-23-39-30-19-21-31(22-20-30)41-26-28-13-9-8-10-14-28/h8-10,13-22,32H,4-7,11-12,23-26H2,1-3H3/q+1