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

Systemtic Name: 6-chloranyl-4-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-4-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-4-[(4-methoxycarbonyl-1-piperidin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-4-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 4-[(4-carbomethoxypiperidin-1-ium-1-yl)methyl]-6-chloro-2-keto-chromen-7-olate Formula: C17H18ClNO5 MolecularWeight: 351.78152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO5/c1-23-17(22)10-2-4-19(5-3-10)9-11-6-16(21)24-15-8-14(20)13(18)7-12(11)15/h6-8,10,20H,2-5,9H2,1H3