ethyl 7-oxidanyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromene-2-carboxylate

Systemtic Name: ethyl 7-oxidanyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromene-2-carboxylate Openeye Name: ethyl 7-hydroxy-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromene-2-carboxylate CAS Name: 7-hydroxy-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-hydroxy-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromene-2-carboxylate Traditional Name: 7-hydroxy-4-keto-8-(piperidin-1-ium-1-ylmethyl)chromene-2-carboxylic acid ethyl ester Formula: C18H22NO5+ MolecularWeight: 332.37098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCC3

InChI

InChI=1S/C18H21NO5/c1-2-23-18(22)16-10-15(21)12-6-7-14(20)13(17(12)24-16)11-19-8-4-3-5-9-19/h6-7,10,20H,2-5,8-9,11H2,1H3/p+1