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

Systemtic Name: diethyl-[[4-oxidanyl-7-oxidanylidene-3-(4-propoxycarbonylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Openeye Name: diethyl-[[4-hydroxy-7-oxo-3-(4-propoxycarbonylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]ammonium CAS Name: diethyl-[[4-hydroxy-7-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: diethyl-[[4-hydroxy-7-oxo-3-(4-propoxycarbonylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Traditional Name: diethyl-[[4-hydroxy-7-keto-3-(4-propoxycarbonylphenoxy)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]ammonium Formula: C24H32NO6+ MolecularWeight: 430.51398

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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+](CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO6/c1-4-13-29-24(28)16-7-9-17(10-8-16)31-21-15-30-23-18(22(21)27)11-12-20(26)19(23)14-25(5-2)6-3/h7-10,15,19,23,27H,4-6,11-14H2,1-3H3/p+1