3-[2-[3,4-bis(phenylmethoxy)phenyl]-4-oxidanylidene-chromen-7-yl]oxypropyl-trimethyl-azanium chloride

Systemtic Name: 3-[2-[3,4-bis(phenylmethoxy)phenyl]-4-oxidanylidene-chromen-7-yl]oxypropyl-trimethyl-azanium chloride Openeye Name: 3-[2-(3,4-dibenzyloxyphenyl)-4-oxo-chromen-7-yl]oxypropyl-trimethyl-ammonium chloride CAS Name: 3-[[2-[3,4-bis(phenylmethoxy)phenyl]-4-oxo-1-benzopyran-7-yl]oxy]propyl-trimethylammonium chloride IUPAC Name: 3-[2-[3,4-bis(phenylmethoxy)phenyl]-4-oxochromen-7-yl]oxypropyl-trimethylazanium chloride Traditional Name: 3-[2-(3,4-dibenzoxyphenyl)-4-keto-chromen-7-yl]oxypropyl-trimethyl-ammonium chloride Formula: C35H36ClNO5 MolecularWeight: 586.11704

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5.[Cl-]

Isomeric SMILES

C[N+](C)(C)CCCOC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5.[Cl-]

InChI

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