(1-methylpiperidin-1-ium-4-yl) 6-bromanyl-8-methoxy-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 6-bromanyl-8-methoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 6-bromo-8-methoxy-2-oxo-chromene-3-carboxylate CAS Name: 6-bromo-8-methoxy-2-oxo-1-benzopyran-3-carboxylic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 6-bromo-8-methoxy-2-oxochromene-3-carboxylate Traditional Name: 6-bromo-2-keto-8-methoxy-chromene-3-carboxylic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C17H19BrNO5+ MolecularWeight: 397.24046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO5/c1-19-5-3-12(4-6-19)23-16(20)13-8-10-7-11(18)9-14(22-2)15(10)24-17(13)21/h7-9,12H,3-6H2,1-2H3/p+1