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

Systemtic Name: ethyl 4-[7-oxidanyl-4-oxidanylidene-8-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-4-oxo-8-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-4-oxo-8-[[(2S)-2-(3-pyridinyl)-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-3-ylpiperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-[[(2S)-2-(3-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=CN=CC=C5)O

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O6/c1-2-35-29(34)19-8-10-21(11-9-19)37-26-18-36-28-22(27(26)33)12-13-25(32)23(28)17-31-15-4-3-7-24(31)20-6-5-14-30-16-20/h5-6,8-14,16,18,24,32H,2-4,7,15,17H2,1H3/p+1/t24-/m0/s1