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

Systemtic Name: propyl 4-[2-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: propyl 4-[7-hydroxy-2-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-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-2-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-2-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-3-yl]oxybenzoic acid propyl ester Formula: C26H31N2O6+ MolecularWeight: 467.53414

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CC[NH+](CC4)C)O)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CC[NH+](CC4)C)O)C

InChI

InChI=1S/C26H30N2O6/c1-4-15-32-26(31)18-5-7-19(8-6-18)34-24-17(2)33-25-20(23(24)30)9-10-22(29)21(25)16-28-13-11-27(3)12-14-28/h5-10,29H,4,11-16H2,1-3H3/p+1