4-ethyl-6-[(2-ethylpiperidin-1-ium-1-yl)methyl]-8-methyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-ethyl-6-[(2-ethylpiperidin-1-ium-1-yl)methyl]-8-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 4-ethyl-6-[(2-ethylpiperidin-1-ium-1-yl)methyl]-8-methyl-2-oxo-chromen-7-olate CAS Name: 4-ethyl-6-[(2-ethyl-1-piperidin-1-iumyl)methyl]-8-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-ethyl-6-[(2-ethylpiperidin-1-ium-1-yl)methyl]-8-methyl-2-oxochromen-7-olate Traditional Name: 4-ethyl-6-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-keto-8-methyl-chromen-7-olate Formula: C20H27NO3 MolecularWeight: 329.43328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C(=C3C(=C2)C(=CC(=O)O3)CC)C)[O-]

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C(C(=C3C(=C2)C(=CC(=O)O3)CC)C)[O-]

InChI

InChI=1S/C20H27NO3/c1-4-14-11-18(22)24-20-13(3)19(23)15(10-17(14)20)12-21-9-7-6-8-16(21)5-2/h10-11,16,23H,4-9,12H2,1-3H3