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

Systemtic Name: propyl 4-[7-oxidanyl-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate Openeye Name: propyl 4-[7-hydroxy-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-4-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-3-yl]oxy]benzoic acid propyl ester IUPAC Name: propyl 4-[7-hydroxy-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoic acid propyl ester Formula: C24H26NO6+ MolecularWeight: 424.46634

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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+]4CCCC4)O

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O

InChI

InChI=1S/C24H25NO6/c1-2-13-29-24(28)16-5-7-17(8-6-16)31-21-15-30-23-18(22(21)27)9-10-20(26)19(23)14-25-11-3-4-12-25/h5-10,15,26H,2-4,11-14H2,1H3/p+1