ethyl 3-(3,4-dimethoxyphenyl)-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(3,4-dimethoxyphenyl)-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-chromene-2-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxochromene-2-carboxylate Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-4-keto-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromene-2-carboxylic acid ethyl ester Formula: C27H32NO7+ MolecularWeight: 482.54548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCC3C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC[C@H]3C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H31NO7/c1-5-34-27(31)26-23(17-9-12-21(32-3)22(14-17)33-4)24(30)18-10-11-20(29)19(25(18)35-26)15-28-13-7-6-8-16(28)2/h9-12,14,16,29H,5-8,13,15H2,1-4H3/p+1/t16-/m1/s1