propyl 4-[8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: propyl 4-[8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: propyl 4-[7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-8-(4-morpholin-4-iumylmethyl)-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid propyl ester IUPAC Name: propyl 4-[7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-(morpholin-4-ium-4-ylmethyl)chromen-3-yl]oxybenzoic acid propyl ester Formula: C24H26NO7+ MolecularWeight: 440.46574

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)O

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)O

InChI

InChI=1S/C24H25NO7/c1-2-11-30-24(28)16-3-5-17(6-4-16)32-21-15-31-23-18(22(21)27)7-8-20(26)19(23)14-25-9-12-29-13-10-25/h3-8,15,26H,2,9-14H2,1H3/p+1