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

Systemtic Name: methyl 2-[4-methyl-7-oxidanyl-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]ethanoate Openeye Name: methyl 2-[7-hydroxy-4-methyl-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]acetate CAS Name: 2-[7-hydroxy-4-methyl-2-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-hydroxy-4-methyl-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]acetate Traditional Name: 2-[7-hydroxy-2-keto-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]acetic acid methyl ester Formula: C19H24NO5+ MolecularWeight: 346.39756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)O)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)O)CC(=O)OC

InChI

InChI=1S/C19H23NO5/c1-12-13-6-7-16(21)15(11-20-8-4-3-5-9-20)18(13)25-19(23)14(12)10-17(22)24-2/h6-7,21H,3-5,8-11H2,1-2H3/p+1