methyl 2-[4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-2-oxidanylidene-chromen-3-yl]ethanoate

Systemtic Name: methyl 2-[4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-2-oxidanylidene-chromen-3-yl]ethanoate Openeye Name: methyl 2-[7-hydroxy-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-chromen-3-yl]acetate CAS Name: 2-[7-hydroxy-4-methyl-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-oxo-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-hydroxy-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxochromen-3-yl]acetate Traditional Name: 2-[7-hydroxy-2-keto-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-3-yl]acetic acid methyl ester Formula: C20H26NO5+ MolecularWeight: 360.42414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3C)CC(=O)OC)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3C)CC(=O)OC)O

InChI

InChI=1S/C20H25NO5/c1-12-5-4-8-21(10-12)11-16-17(22)7-6-14-13(2)15(9-18(23)25-3)20(24)26-19(14)16/h6-7,12,22H,4-5,8-11H2,1-3H3/p+1/t12-/m0/s1