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

Systemtic Name: ethyl 4-[8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-2-methyl-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-methyl-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-4-keto-2-methyl-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C26H31N2O6+ MolecularWeight: 467.53414

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C)O

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C)O

InChI

InChI=1S/C26H30N2O6/c1-4-27-12-14-28(15-13-27)16-21-22(29)11-10-20-23(30)24(17(3)33-25(20)21)34-19-8-6-18(7-9-19)26(31)32-5-2/h6-11,29H,4-5,12-16H2,1-3H3/p+1