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

Systemtic Name: methyl 1-[(6-oxidanyl-2-oxidanylidene-7-phenyl-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(6-hydroxy-2-oxo-7-phenyl-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-hydroxy-2-oxo-7-phenyl-1-benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(6-hydroxy-2-oxo-7-phenylchromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-hydroxy-2-keto-7-phenyl-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H24NO5+ MolecularWeight: 394.44036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4

InChI

InChI=1S/C23H23NO5/c1-28-23(27)16-7-9-24(10-8-16)14-17-11-22(26)29-21-13-18(20(25)12-19(17)21)15-5-3-2-4-6-15/h2-6,11-13,16,25H,7-10,14H2,1H3/p+1