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

Systemtic Name: propyl 4-[7-oxidanyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate Openeye Name: propyl 4-[7-hydroxy-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-3-yl]oxy]benzoic acid propyl ester IUPAC Name: propyl 4-[7-hydroxy-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoic acid propyl ester Formula: C25H28NO6+ MolecularWeight: 438.49292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O

InChI

InChI=1S/C25H27NO6/c1-2-14-30-25(29)17-6-8-18(9-7-17)32-22-16-31-24-19(23(22)28)10-11-21(27)20(24)15-26-12-4-3-5-13-26/h6-11,16,27H,2-5,12-15H2,1H3/p+1