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

Systemtic Name: 3-[2-[3,4-bis(phenylmethoxy)phenyl]-4-oxidanylidene-chromen-3-yl]oxypropyl-trimethyl-azanium bromide Openeye Name: 3-[2-(3,4-dibenzyloxyphenyl)-4-oxo-chromen-3-yl]oxypropyl-trimethyl-ammonium bromide CAS Name: 3-[[2-[3,4-bis(phenylmethoxy)phenyl]-4-oxo-1-benzopyran-3-yl]oxy]propyl-trimethylammonium bromide IUPAC Name: 3-[2-[3,4-bis(phenylmethoxy)phenyl]-4-oxochromen-3-yl]oxypropyl-trimethylazanium bromide Traditional Name: 3-[2-(3,4-dibenzoxyphenyl)-4-keto-chromen-3-yl]oxypropyl-trimethyl-ammonium bromide Formula: C35H36BrNO5 MolecularWeight: 630.56804

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC1=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)CCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C35H36NO5.BrH/c1-36(2,3)21-12-22-38-35-33(37)29-17-10-11-18-30(29)41-34(35)28-19-20-31(39-24-26-13-6-4-7-14-26)32(23-28)40-25-27-15-8-5-9-16-27;/h4-11,13-20,23H,12,21-22,24-25H2,1-3H3;1H/q+1;/p-1