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

Systemtic Name: methyl 1-[(6-chloranyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H19ClNO5+ MolecularWeight: 352.78946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO5/c1-23-17(22)10-2-4-19(5-3-10)9-11-6-16(21)24-15-8-14(20)13(18)7-12(11)15/h6-8,10,20H,2-5,9H2,1H3/p+1