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

Systemtic Name: ethyl 3-(2-methoxyphenyl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-chromene-2-carboxylate CAS Name: 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxochromene-2-carboxylate Traditional Name: 7-hydroxy-4-keto-3-(2-methoxyphenyl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromene-2-carboxylic acid ethyl ester Formula: C25H29N2O6+ MolecularWeight: 453.50756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CC[NH+](CC3)C)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CC[NH+](CC3)C)C4=CC=CC=C4OC

InChI

InChI=1S/C25H28N2O6/c1-4-32-25(30)24-21(16-7-5-6-8-20(16)31-3)22(29)17-9-10-19(28)18(23(17)33-24)15-27-13-11-26(2)12-14-27/h5-10,28H,4,11-15H2,1-3H3/p+1