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

Systemtic Name: methyl 4-[8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H29N2O6+ MolecularWeight: 453.50756

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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)OC)C)O

Isomeric SMILES

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

InChI

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