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

Systemtic Name: [3-(4-ethoxycarbonylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-chromen-8-yl]methyl]-methyl-ammonium CAS Name: [3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxochromen-8-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-(4-carbethoxyphenoxy)-7-hydroxy-4-keto-chromen-8-yl]methyl]-methyl-ammonium Formula: C27H26NO6+ MolecularWeight: 460.49844

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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)CC4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+](C)CC4=CC=CC=C4)O

InChI

InChI=1S/C27H25NO6/c1-3-32-27(31)19-9-11-20(12-10-19)34-24-17-33-26-21(25(24)30)13-14-23(29)22(26)16-28(2)15-18-7-5-4-6-8-18/h4-14,17,29H,3,15-16H2,1-2H3/p+1