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

Systemtic Name: dimethyl-[[2-methyl-4-oxidanyl-7-oxidanylidene-3-(4-propoxycarbonylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Openeye Name: [4-hydroxy-2-methyl-7-oxo-3-(4-propoxycarbonylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [4-hydroxy-2-methyl-7-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [4-hydroxy-2-methyl-7-oxo-3-(4-propoxycarbonylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [4-hydroxy-7-keto-2-methyl-3-(4-propoxycarbonylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C23H30NO6+ MolecularWeight: 416.4874

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3C(C(=O)CCC3=C2O)C[NH+](C)C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3C(C(=O)CCC3=C2O)C[NH+](C)C)C

InChI

InChI=1S/C23H29NO6/c1-5-12-28-23(27)15-6-8-16(9-7-15)30-21-14(2)29-22-17(20(21)26)10-11-19(25)18(22)13-24(3)4/h6-9,18,22,26H,5,10-13H2,1-4H3/p+1