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

Systemtic Name: ethyl 4-[(6-oxidanyl-2-oxidanylidene-7-phenyl-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(6-hydroxy-2-oxo-7-phenyl-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(6-hydroxy-2-oxo-7-phenyl-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-hydroxy-2-oxo-7-phenylchromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(6-hydroxy-2-keto-7-phenyl-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H25N2O5+ MolecularWeight: 409.455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O5/c1-2-29-23(28)25-10-8-24(9-11-25)15-17-12-22(27)30-21-14-18(20(26)13-19(17)21)16-6-4-3-5-7-16/h3-7,12-14,26H,2,8-11,15H2,1H3/p+1