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

Systemtic Name: 6-chloranyl-4-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-4-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-4-[(4-ethoxycarbonyl-1-piperidin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-4-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 4-[(4-carbethoxypiperidin-1-ium-1-yl)methyl]-6-chloro-2-keto-chromen-7-olate Formula: C18H20ClNO5 MolecularWeight: 365.8081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO5/c1-2-24-18(23)11-3-5-20(6-4-11)10-12-7-17(22)25-16-9-15(21)14(19)8-13(12)16/h7-9,11,21H,2-6,10H2,1H3