methyl 2-[4,7-dimethyl-5-oxidanyl-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]ethanoate

Systemtic Name: methyl 2-[4,7-dimethyl-5-oxidanyl-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]ethanoate Openeye Name: methyl 2-[5-hydroxy-4,7-dimethyl-2-oxo-6-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]acetate CAS Name: 2-[5-hydroxy-4,7-dimethyl-2-oxo-6-(1-piperidin-1-iumylmethyl)-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-hydroxy-4,7-dimethyl-2-oxo-6-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]acetate Traditional Name: 2-[5-hydroxy-2-keto-4,7-dimethyl-6-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]acetic acid methyl ester Formula: C20H26NO5+ MolecularWeight: 360.42414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)OC)C)C(=C1C[NH+]3CCCCC3)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)OC)C)C(=C1C[NH+]3CCCCC3)O

InChI

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