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

Systemtic Name: ethyl (3R)-1-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H30NO4+ MolecularWeight: 372.4779

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

InChI

InChI=1S/C22H29NO4/c1-5-26-22(25)16-7-6-8-23(12-16)13-17-10-21(24)27-20-9-15(4)18(14(2)3)11-19(17)20/h9-11,14,16H,5-8,12-13H2,1-4H3/p+1/t16-/m1/s1