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

Systemtic Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]-prop-2-enyl-azanium Openeye Name: allyl-cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl]ammonium CAS Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl]-prop-2-enylammonium IUPAC Name: cyclohexyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl]-prop-2-enylazanium Traditional Name: allyl-[[3-(4-carbethoxyphenoxy)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl]-cyclohexyl-ammonium Formula: C29H34NO6+ MolecularWeight: 492.58336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO6/c1-4-17-30(21-9-7-6-8-10-21)18-24-25(31)16-15-23-26(32)27(19(3)35-28(23)24)36-22-13-11-20(12-14-22)29(33)34-5-2/h4,11-16,21,31H,1,5-10,17-18H2,2-3H3/p+1