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

Systemtic Name: ethyl 4-[8-[[(2S)-2-(4-methoxyphenyl)piperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-8-[[(2S)-2-(4-methoxyphenyl)piperidin-1-ium-1-yl]methyl]-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-8-[[(2S)-2-(4-methoxyphenyl)-1-piperidin-1-iumyl]methyl]-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-8-[[(2S)-2-(4-methoxyphenyl)piperidin-1-ium-1-yl]methyl]-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-[[(2S)-2-(4-methoxyphenyl)piperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoic acid ethyl ester Formula: C31H32NO7+ MolecularWeight: 530.58828

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=C(C=C5)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C31H31NO7/c1-3-37-31(35)21-9-13-23(14-10-21)39-28-19-38-30-24(29(28)34)15-16-27(33)25(30)18-32-17-5-4-6-26(32)20-7-11-22(36-2)12-8-20/h7-16,19,26,33H,3-6,17-18H2,1-2H3/p+1/t26-/m0/s1