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

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

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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+]4CCCCC4C5=CC=CC=N5)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC[C@@H]4C5=CC=CC=N5)O

InChI

InChI=1S/C29H28N2O6/c1-2-35-29(34)19-9-11-20(12-10-19)37-26-18-36-28-21(27(26)33)13-14-25(32)22(28)17-31-16-6-4-8-24(31)23-7-3-5-15-30-23/h3,5,7,9-15,18,24,32H,2,4,6,8,16-17H2,1H3/p+1/t24-/m1/s1