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

Systemtic Name: methyl 4-[7-oxidanyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H24NO6+ MolecularWeight: 410.43976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO6/c1-28-23(27)15-5-7-16(8-6-15)30-20-14-29-22-17(21(20)26)9-10-19(25)18(22)13-24-11-3-2-4-12-24/h5-10,14,25H,2-4,11-13H2,1H3/p+1