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

Systemtic Name: dimethyl-[[4-oxidanyl-7-oxidanylidene-3-(4-propoxycarbonylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Openeye Name: [4-hydroxy-7-oxo-3-(4-propoxycarbonylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [4-hydroxy-7-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [4-hydroxy-7-oxo-3-(4-propoxycarbonylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [4-hydroxy-7-keto-3-(4-propoxycarbonylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C22H28NO6+ MolecularWeight: 402.46082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6/c1-4-11-27-22(26)14-5-7-15(8-6-14)29-19-13-28-21-16(20(19)25)9-10-18(24)17(21)12-23(2)3/h5-8,13,17,21,25H,4,9-12H2,1-3H3/p+1