(1-methylpiperidin-1-ium-4-yl) 6-methoxy-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 6-methoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 6-methoxy-2-oxo-chromene-3-carboxylate CAS Name: 6-methoxy-2-oxo-1-benzopyran-3-carboxylic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 6-methoxy-2-oxochromene-3-carboxylate Traditional Name: 2-keto-6-methoxy-chromene-3-carboxylic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C17H20NO5+ MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O

InChI

InChI=1S/C17H19NO5/c1-18-7-5-12(6-8-18)22-16(19)14-10-11-9-13(21-2)3-4-15(11)23-17(14)20/h3-4,9-10,12H,5-8H2,1-2H3/p+1