ethyl 1-[(6-chloranyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(6-chloro-7-hydroxy-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-chloro-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloro-7-hydroxy-2-oxochromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-chloro-7-hydroxy-2-keto-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H21ClNO5+ MolecularWeight: 366.81604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O

InChI

InChI=1S/C18H20ClNO5/c1-2-24-18(23)11-3-5-20(6-4-11)10-12-7-17(22)25-16-9-15(21)14(19)8-13(12)16/h7-9,11,21H,2-6,10H2,1H3/p+1