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

Systemtic Name: ethyl 3-(4-bromophenyl)-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(4-bromophenyl)-7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-chromene-2-carboxylate CAS Name: 3-(4-bromophenyl)-7-hydroxy-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromophenyl)-7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxochromene-2-carboxylate Traditional Name: 3-(4-bromophenyl)-7-hydroxy-4-keto-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromene-2-carboxylic acid ethyl ester Formula: C25H27BrNO5+ MolecularWeight: 501.38958

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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+]3CCCC(C3)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCC[C@@H](C3)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H26BrNO5/c1-3-31-25(30)24-21(16-6-8-17(26)9-7-16)22(29)18-10-11-20(28)19(23(18)32-24)14-27-12-4-5-15(2)13-27/h6-11,15,28H,3-5,12-14H2,1-2H3/p+1/t15-/m0/s1