ethyl 4-[8-[[4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[8-[[4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-8-[(4-isobutylpiperazin-4-ium-1-yl)methyl]-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-8-[[4-(2-methylpropyl)-1-piperazin-4-iumyl]methyl]-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-8-[[4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-8-[(4-isobutylpiperazin-4-ium-1-yl)methyl]-4-keto-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C27H33N2O6+ MolecularWeight: 481.56072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CC[NH+](CC4)CC(C)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CC[NH+](CC4)CC(C)C)O

InChI

InChI=1S/C27H32N2O6/c1-4-33-27(32)19-5-7-20(8-6-19)35-24-17-34-26-21(25(24)31)9-10-23(30)22(26)16-29-13-11-28(12-14-29)15-18(2)3/h5-10,17-18,30H,4,11-16H2,1-3H3/p+1