3-[2-methoxy-5-[(4R)-7-oxidanyl-2-oxidanylidene-3,4-dihydrochromen-4-yl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[2-methoxy-5-[(4R)-7-oxidanyl-2-oxidanylidene-3,4-dihydrochromen-4-yl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[5-[(4R)-7-hydroxy-2-oxo-chroman-4-yl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[5-[(4R)-7-hydroxy-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl]-2-methoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[5-[(4R)-7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl]-2-methoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[5-[(4R)-7-hydroxy-2-keto-chroman-4-yl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium Formula: C21H26NO5+ MolecularWeight: 372.43484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-22(2)9-4-10-26-20-11-14(5-8-18(20)25-3)17-13-21(24)27-19-12-15(23)6-7-16(17)19/h5-8,11-12,17,23H,4,9-10,13H2,1-3H3/p+1/t17-/m1/s1