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

Systemtic Name: methyl 1-[(6-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(6-hydroxy-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(6-hydroxy-2-oxochromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-hydroxy-2-keto-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H20NO5+ MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=C(C=C3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=C(C=C3)O

InChI

InChI=1S/C17H19NO5/c1-22-17(21)11-4-6-18(7-5-11)10-12-8-16(20)23-15-3-2-13(19)9-14(12)15/h2-3,8-9,11,19H,4-7,10H2,1H3/p+1