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

Systemtic Name: ethyl 3-(3,4-dimethoxyphenyl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-chromene-2-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxochromene-2-carboxylate Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-4-keto-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromene-2-carboxylic acid ethyl ester Formula: C26H31N2O7+ MolecularWeight: 483.53354

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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(=C(C=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O7/c1-5-34-26(31)25-22(16-6-9-20(32-3)21(14-16)33-4)23(30)17-7-8-19(29)18(24(17)35-25)15-28-12-10-27(2)11-13-28/h6-9,14,29H,5,10-13,15H2,1-4H3/p+1