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

Systemtic Name: propyl 4-[8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: propyl 4-[7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid propyl ester IUPAC Name: propyl 4-[7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-3-yl]oxybenzoic acid propyl ester Formula: C25H29N2O6+ MolecularWeight: 453.50756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O6/c1-3-14-31-25(30)17-4-6-18(7-5-17)33-22-16-32-24-19(23(22)29)8-9-21(28)20(24)15-27-12-10-26(2)11-13-27/h4-9,16,28H,3,10-15H2,1-2H3/p+1