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

Systemtic Name: [3-(2-ethoxyphenoxy)-2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(2-ethoxyphenoxy)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(2-ethoxyphenoxy)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(2-ethoxyphenoxy)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(2-ethoxyphenoxy)-4-hydroxy-7-keto-2-methyl-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C21H28NO5+ MolecularWeight: 374.45072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(OC3C(C(=O)CCC3=C2O)C[NH+](C)C)C

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3C(C(=O)CCC3=C2O)C[NH+](C)C)C

InChI

InChI=1S/C21H27NO5/c1-5-25-17-8-6-7-9-18(17)27-20-13(2)26-21-14(19(20)24)10-11-16(23)15(21)12-22(3)4/h6-9,15,21,24H,5,10-12H2,1-4H3/p+1