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

Systemtic Name: ethyl (3S)-1-[(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(7-acetamido-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(7-acetamido-2-oxo-1-benzopyran-4-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(7-acetamido-2-oxochromen-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(7-acetamido-2-keto-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H25N2O5+ MolecularWeight: 373.4229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5/c1-3-26-20(25)14-5-4-8-22(11-14)12-15-9-19(24)27-18-10-16(21-13(2)23)6-7-17(15)18/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,21,23)/p+1/t14-/m0/s1