ethyl 1-[(7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(7-hydroxy-4-oxo-3-phenyl-chromen-8-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(7-hydroxy-4-oxo-3-phenyl-1-benzopyran-8-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(7-hydroxy-4-oxo-3-phenylchromen-8-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(7-hydroxy-4-keto-3-phenyl-chromen-8-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=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O

InChI

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