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

Systemtic Name: [3-(4-methoxycarbonylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[7-hydroxy-3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxo-chromen-8-yl]methyl]-methyl-ammonium CAS Name: [7-hydroxy-3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxo-1-benzopyran-8-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[7-hydroxy-3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxochromen-8-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-(4-carbomethoxyphenoxy)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl]-methyl-ammonium Formula: C27H26NO6+ MolecularWeight: 460.49844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](C)CC3=CC=CC=C3)OC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](C)CC3=CC=CC=C3)OC4=CC=C(C=C4)C(=O)OC

InChI

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