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

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 6-bromo-2-oxo-chromene-3-carboxylate CAS Name: 6-bromo-2-oxo-1-benzopyran-3-carboxylic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 6-bromo-2-oxochromene-3-carboxylate Traditional Name: 6-bromo-2-keto-chromene-3-carboxylic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C16H17BrNO4+ MolecularWeight: 367.21448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO4/c1-18-6-4-12(5-7-18)21-15(19)13-9-10-8-11(17)2-3-14(10)22-16(13)20/h2-3,8-9,12H,4-7H2,1H3/p+1