(1-methylpiperidin-1-ium-4-yl) 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 2-oxidanylidenechromene-3-carboxylate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C16H18NO4+ MolecularWeight: 288.31842

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C16H17NO4/c1-17-8-6-12(7-9-17)20-15(18)13-10-11-4-2-3-5-14(11)21-16(13)19/h2-5,10,12H,6-9H2,1H3/p+1