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

Systemtic Name: ethyl 4-[8-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-7-hydroxy-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[[(3S)-3-[diethylamino(oxo)methyl]-1-piperidin-1-iumyl]methyl]-7-hydroxy-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-7-hydroxy-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-7-hydroxy-4-keto-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C29H35N2O7+ MolecularWeight: 523.5974

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)O

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)O

InChI

InChI=1S/C29H34N2O7/c1-4-31(5-2)28(34)20-8-7-15-30(16-20)17-23-24(32)14-13-22-26(33)25(18-37-27(22)23)38-21-11-9-19(10-12-21)29(35)36-6-3/h9-14,18,20,32H,4-8,15-17H2,1-3H3/p+1/t20-/m0/s1