8-[2-[3,4-bis(phenylmethoxy)phenyl]-4-oxidanylidene-chromen-3-yl]oxyoctyl-trimethyl-azanium bromide

Systemtic Name: 8-[2-[3,4-bis(phenylmethoxy)phenyl]-4-oxidanylidene-chromen-3-yl]oxyoctyl-trimethyl-azanium bromide Openeye Name: 8-[2-(3,4-dibenzyloxyphenyl)-4-oxo-chromen-3-yl]oxyoctyl-trimethyl-ammonium bromide CAS Name: 8-[[2-[3,4-bis(phenylmethoxy)phenyl]-4-oxo-1-benzopyran-3-yl]oxy]octyl-trimethylammonium bromide IUPAC Name: 8-[2-[3,4-bis(phenylmethoxy)phenyl]-4-oxochromen-3-yl]oxyoctyl-trimethylazanium bromide Traditional Name: 8-[2-(3,4-dibenzoxyphenyl)-4-keto-chromen-3-yl]oxyoctyl-trimethyl-ammonium bromide Formula: C40H46BrNO5 MolecularWeight: 700.70094

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCCCCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C[N+](C)(C)CCCCCCCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C40H46NO5.BrH/c1-41(2,3)26-16-6-4-5-7-17-27-43-40-38(42)34-22-14-15-23-35(34)46-39(40)33-24-25-36(44-29-31-18-10-8-11-19-31)37(28-33)45-30-32-20-12-9-13-21-32;/h8-15,18-25,28H,4-7,16-17,26-27,29-30H2,1-3H3;1H/q+1;/p-1