ethyl (3R)-1-[(6-ethyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(6-ethyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(6-ethyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(6-ethyl-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(6-ethyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(6-ethyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H28NO5+ MolecularWeight: 374.45072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCCC(C3)C(=O)OCC)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCC[C@H](C3)C(=O)OCC)O

InChI

InChI=1S/C21H27NO5/c1-4-14-10-16-13(3)9-18(23)27-20(16)17(19(14)24)12-22-8-6-7-15(11-22)21(25)26-5-2/h9-10,15,24H,4-8,11-12H2,1-3H3/p+1/t15-/m1/s1