2-[2-methoxy-6-[(4S)-7-oxidanyl-2-oxidanylidene-3,4-dihydrochromen-4-yl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-methoxy-6-[(4S)-7-oxidanyl-2-oxidanylidene-3,4-dihydrochromen-4-yl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[2-[(4S)-7-hydroxy-2-oxo-chroman-4-yl]-6-methoxy-phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[2-[(4S)-7-hydroxy-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl]-6-methoxyphenoxy]ethyl-dimethylammonium IUPAC Name: 2-[2-[(4S)-7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl]-6-methoxyphenoxy]ethyl-dimethylazanium Traditional Name: 2-[2-[(4S)-7-hydroxy-2-keto-chroman-4-yl]-6-methoxy-phenoxy]ethyl-dimethyl-ammonium Formula: C20H24NO5+ MolecularWeight: 358.40826

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=CC=C1OC)C2CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

C[NH+](C)CCOC1=C(C=CC=C1OC)[C@H]2CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C20H23NO5/c1-21(2)9-10-25-20-15(5-4-6-17(20)24-3)16-12-19(23)26-18-11-13(22)7-8-14(16)18/h4-8,11,16,22H,9-10,12H2,1-3H3/p+1/t16-/m0/s1