trimethyl-[1-oxidanylidene-1-[8-[(4-oxidanylidene-2-phenyl-2,3-dihydrochromen-6-yl)oxy]octoxy]-3-phenyl-propan-2-yl]azanium iodide

Systemtic Name: trimethyl-[1-oxidanylidene-1-[8-[(4-oxidanylidene-2-phenyl-2,3-dihydrochromen-6-yl)oxy]octoxy]-3-phenyl-propan-2-yl]azanium iodide Openeye Name: [1-benzyl-2-oxo-2-[8-(4-oxo-2-phenyl-chroman-6-yl)oxyoctoxy]ethyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[1-oxo-1-[8-[(4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]octoxy]-3-phenylpropan-2-yl]ammonium iodide IUPAC Name: trimethyl-[1-oxo-1-[8-[(4-oxo-2-phenyl-2,3-dihydrochromen-6-yl)oxy]octoxy]-3-phenylpropan-2-yl]azanium iodide Traditional Name: [1-benzyl-2-keto-2-[8-(4-keto-2-phenyl-chroman-6-yl)oxyoctoxy]ethyl]-trimethyl-ammonium iodide Formula: C35H44INO5 MolecularWeight: 685.63203

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)OCCCCCCCCOC2=CC3=C(C=C2)OC(CC3=O)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)OCCCCCCCCOC2=CC3=C(C=C2)OC(CC3=O)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C35H44NO5.HI/c1-36(2,3)31(24-27-16-10-8-11-17-27)35(38)40-23-15-7-5-4-6-14-22-39-29-20-21-33-30(25-29)32(37)26-34(41-33)28-18-12-9-13-19-28;/h8-13,16-21,25,31,34H,4-7,14-15,22-24,26H2,1-3H3;1H/q+1;/p-1