[2-ethyl-3-(4-fluoranylphenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-azanium

Systemtic Name: [2-ethyl-3-(4-fluoranylphenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-azanium Openeye Name: [2-ethyl-3-(4-fluorophenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [2-ethyl-3-(4-fluorophenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [2-ethyl-3-(4-fluorophenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [2-ethyl-3-(4-fluorophenoxy)-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C20H25FNO4+ MolecularWeight: 362.415203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2CCC(=O)C(C2O1)C[NH+](C)C)O)OC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C(C(=C2CCC(=O)C(C2O1)C[NH+](C)C)O)OC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FNO4/c1-4-17-20(25-13-7-5-12(21)6-8-13)18(24)14-9-10-16(23)15(11-22(2)3)19(14)26-17/h5-8,15,19,24H,4,9-11H2,1-3H3/p+1