dimethyl-[3-[3-[(4R)-7-oxidanyl-2-oxidanylidene-3,4-dihydrochromen-4-yl]phenoxy]propyl]azanium

Systemtic Name: dimethyl-[3-[3-[(4R)-7-oxidanyl-2-oxidanylidene-3,4-dihydrochromen-4-yl]phenoxy]propyl]azanium Openeye Name: 3-[3-[(4R)-7-hydroxy-2-oxo-chroman-4-yl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[3-[(4R)-7-hydroxy-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[3-[(4R)-7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[3-[(4R)-7-hydroxy-2-keto-chroman-4-yl]phenoxy]propyl-dimethyl-ammonium Formula: C20H24NO4+ MolecularWeight: 342.40886

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=CC=CC(=C1)C2CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

C[NH+](C)CCCOC1=CC=CC(=C1)[C@H]2CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C20H23NO4/c1-21(2)9-4-10-24-16-6-3-5-14(11-16)18-13-20(23)25-19-12-15(22)7-8-17(18)19/h3,5-8,11-12,18,22H,4,9-10,13H2,1-2H3/p+1/t18-/m1/s1