(1-methylpiperidin-1-ium-4-yl) 6,8-bis(chloranyl)-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 6,8-bis(chloranyl)-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 6,8-dichloro-2-oxo-chromene-3-carboxylate CAS Name: 6,8-dichloro-2-oxo-1-benzopyran-3-carboxylic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 6,8-dichloro-2-oxochromene-3-carboxylate Traditional Name: 6,8-dichloro-2-keto-chromene-3-carboxylic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C16H16Cl2NO4+ MolecularWeight: 357.20854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15Cl2NO4/c1-19-4-2-11(3-5-19)22-15(20)12-7-9-6-10(17)8-13(18)14(9)23-16(12)21/h6-8,11H,2-5H2,1H3/p+1