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

Systemtic Name: ethyl 4-[2-methyl-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-2-methyl-4-oxo-8-[[(2S)-2-(4-pyridyl)piperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-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-2-methyl-4-oxo-8-[[(2S)-2-pyridin-4-ylpiperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-2-methyl-8-[[(2S)-2-(4-pyridyl)piperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoic acid ethyl ester Formula: C30H31N2O6+ MolecularWeight: 515.57694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4C5=CC=NC=C5)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC[C@H]4C5=CC=NC=C5)O)C

InChI

InChI=1S/C30H30N2O6/c1-3-36-30(35)21-7-9-22(10-8-21)38-28-19(2)37-29-23(27(28)34)11-12-26(33)24(29)18-32-17-5-4-6-25(32)20-13-15-31-16-14-20/h7-16,25,33H,3-6,17-18H2,1-2H3/p+1/t25-/m0/s1