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

Systemtic Name: [3-(4-ethoxycarbonylphenoxy)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(4-ethoxycarbonylphenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(4-ethoxycarbonylphenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(4-ethoxycarbonylphenoxy)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(4-carbethoxyphenoxy)-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C21H26NO6+ MolecularWeight: 388.43424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3C(C(=O)CCC3=C2O)C[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3C(C(=O)CCC3=C2O)C[NH+](C)C

InChI

InChI=1S/C21H25NO6/c1-4-26-21(25)13-5-7-14(8-6-13)28-18-12-27-20-15(19(18)24)9-10-17(23)16(20)11-22(2)3/h5-8,12,16,20,24H,4,9-11H2,1-3H3/p+1