ethyl (3S)-1-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H26NO4+ MolecularWeight: 344.42474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3C)C

InChI

InChI=1S/C20H25NO4/c1-4-24-20(23)15-6-5-9-21(11-15)12-16-10-18(22)25-19-14(3)13(2)7-8-17(16)19/h7-8,10,15H,4-6,9,11-12H2,1-3H3/p+1/t15-/m0/s1