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

Systemtic Name: ethyl (3R)-1-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H26NO5+ MolecularWeight: 360.42414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCC(C3)C(=O)OCC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H](C3)C(=O)OCC)O

InChI

InChI=1S/C20H25NO5/c1-3-13-8-16-15(9-19(23)26-18(16)10-17(13)22)12-21-7-5-6-14(11-21)20(24)25-4-2/h8-10,14,22H,3-7,11-12H2,1-2H3/p+1/t14-/m1/s1