ethyl 4-[2-methyl-7-oxidanyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[2-methyl-7-oxidanyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-2-methyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-2-methyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoic acid ethyl ester Formula: C25H28NO6+ MolecularWeight: 438.49292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O)C

InChI

InChI=1S/C25H27NO6/c1-3-30-25(29)17-7-9-18(10-8-17)32-23-16(2)31-24-19(22(23)28)11-12-21(27)20(24)15-26-13-5-4-6-14-26/h7-12,27H,3-6,13-15H2,1-2H3/p+1