ethyl (3S)-1-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(6-methyl-4-oxo-chromen-3-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(4-keto-6-methyl-chromen-3-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=COC3=C(C2=O)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=COC3=C(C2=O)C=C(C=C3)C

InChI

InChI=1S/C19H23NO4/c1-3-23-19(22)14-5-4-8-20(10-14)11-15-12-24-17-7-6-13(2)9-16(17)18(15)21/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3/p+1/t14-/m0/s1