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

Systemtic Name: ethyl 1-[(6-oxidanyl-2-oxidanylidene-7-phenyl-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H26NO5+ MolecularWeight: 408.46694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO5/c1-2-29-24(28)17-8-10-25(11-9-17)15-18-12-23(27)30-22-14-19(21(26)13-20(18)22)16-6-4-3-5-7-16/h3-7,12-14,17,26H,2,8-11,15H2,1H3/p+1