ethyl 4-[7-oxidanyl-4-oxidanylidene-8-[[(2S)-2-pyridin-4-ylpiperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[7-oxidanyl-4-oxidanylidene-8-[[(2S)-2-pyridin-4-ylpiperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-4-oxo-8-[[(2S)-2-(4-pyridyl)piperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-4-oxo-8-[[(2S)-2-pyridin-4-yl-1-piperidin-1-iumyl]methyl]-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-4-oxo-8-[[(2S)-2-pyridin-4-ylpiperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-[[(2S)-2-(4-pyridyl)piperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoic acid ethyl ester Formula: C29H29N2O6+ MolecularWeight: 501.55036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4C5=CC=NC=C5)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC[C@H]4C5=CC=NC=C5)O

InChI

InChI=1S/C29H28N2O6/c1-2-35-29(34)20-6-8-21(9-7-20)37-26-18-36-28-22(27(26)33)10-11-25(32)23(28)17-31-16-4-3-5-24(31)19-12-14-30-15-13-19/h6-15,18,24,32H,2-5,16-17H2,1H3/p+1/t24-/m0/s1