methyl 1-[(6-ethyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(6-ethyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(6-ethyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-ethyl-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(6-ethyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-ethyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl 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)C[NH+]3CCC(CC3)C(=O)OC)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCC(CC3)C(=O)OC)O

InChI

InChI=1S/C20H25NO5/c1-4-13-10-15-12(2)9-17(22)26-19(15)16(18(13)23)11-21-7-5-14(6-8-21)20(24)25-3/h9-10,14,23H,4-8,11H2,1-3H3/p+1