4-azanyl-2-[chloranyl-bis(fluoranyl)methyl]-6-methoxy-quinolin-1-ium-3-carbonitrile

Systemtic Name: 4-azanyl-2-[chloranyl-bis(fluoranyl)methyl]-6-methoxy-quinolin-1-ium-3-carbonitrile Openeye Name: 4-amino-2-[chloro(difluoro)methyl]-6-methoxy-quinolin-1-ium-3-carbonitrile CAS Name: 4-amino-2-[chloro(difluoro)methyl]-6-methoxy-3-quinolin-1-iumcarbonitrile IUPAC Name: 4-amino-2-[chloro(difluoro)methyl]-6-methoxyquinolin-1-ium-3-carbonitrile Traditional Name: 4-amino-2-[chloro(difluoro)methyl]-6-methoxy-quinolin-1-ium-3-carbonitrile Formula: C12H9ClF2N3O+ MolecularWeight: 284.669166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[NH+]=C(C(=C2N)C#N)C(F)(F)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)[NH+]=C(C(=C2N)C#N)C(F)(F)Cl

InChI

InChI=1S/C12H8ClF2N3O/c1-19-6-2-3-9-7(4-6)10(17)8(5-16)11(18-9)12(13,14)15/h2-4H,1H3,(H2,17,18)/p+1