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

Systemtic Name: ethyl 4-[7-oxidanyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H26NO6+ MolecularWeight: 424.46634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO6/c1-2-29-24(28)16-6-8-17(9-7-16)31-21-15-30-23-18(22(21)27)10-11-20(26)19(23)14-25-12-4-3-5-13-25/h6-11,15,26H,2-5,12-14H2,1H3/p+1