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

Systemtic Name: ethyl (3R)-1-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(7-methyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(7-methyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(2-keto-7-methyl-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H24NO4+ MolecularWeight: 330.39816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)C

InChI

InChI=1S/C19H23NO4/c1-3-23-19(22)14-5-4-8-20(11-14)12-15-10-18(21)24-17-9-13(2)6-7-16(15)17/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3/p+1/t14-/m1/s1