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

Systemtic Name: ethyl 3-(2-methoxyphenyl)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 7-hydroxy-3-(2-methoxyphenyl)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-chromene-2-carboxylate CAS Name: 7-hydroxy-3-(2-methoxyphenyl)-8-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-hydroxy-3-(2-methoxyphenyl)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxochromene-2-carboxylate Traditional Name: 7-hydroxy-4-keto-3-(2-methoxyphenyl)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromene-2-carboxylic acid ethyl ester Formula: C26H30NO6+ MolecularWeight: 452.5195

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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=CC=C4OC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC[C@@H]3C)C4=CC=CC=C4OC

InChI

InChI=1S/C26H29NO6/c1-4-32-26(30)25-22(17-10-5-6-11-21(17)31-3)23(29)18-12-13-20(28)19(24(18)33-25)15-27-14-8-7-9-16(27)2/h5-6,10-13,16,28H,4,7-9,14-15H2,1-3H3/p+1/t16-/m0/s1