cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]-methyl-azanium

Systemtic Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl]-methylazanium Traditional Name: [3-(4-carbethoxyphenoxy)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl-cyclohexyl-methyl-ammonium Formula: C27H32NO6+ MolecularWeight: 466.54608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C4CCCCC4)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C4CCCCC4)O)C

InChI

InChI=1S/C27H31NO6/c1-4-32-27(31)18-10-12-20(13-11-18)34-25-17(2)33-26-21(24(25)30)14-15-23(29)22(26)16-28(3)19-8-6-5-7-9-19/h10-15,19,29H,4-9,16H2,1-3H3/p+1