cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]-methyl-azanium

Systemtic Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-chromen-8-yl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxochromen-8-yl]methyl]-methylazanium Traditional Name: [3-(4-carbethoxyphenoxy)-7-hydroxy-4-keto-chromen-8-yl]methyl-cyclohexyl-methyl-ammonium Formula: C26H30NO6+ MolecularWeight: 452.5195

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+](C)C4CCCCC4)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+](C)C4CCCCC4)O

InChI

InChI=1S/C26H29NO6/c1-3-31-26(30)17-9-11-19(12-10-17)33-23-16-32-25-20(24(23)29)13-14-22(28)21(25)15-27(2)18-7-5-4-6-8-18/h9-14,16,18,28H,3-8,15H2,1-2H3/p+1