4-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate

Systemtic Name: 4-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[(4-ethoxycarbonyl-1-piperidin-1-iumyl)methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 4-[(4-carbethoxypiperidin-1-ium-1-yl)methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C24H25NO5 MolecularWeight: 407.459

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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