(5-cyano-2-fluoranyl-phenyl)methyl-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-cyano-2-fluoro-phenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-cyano-2-fluorophenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylammonium IUPAC Name: (5-cyano-2-fluorophenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium Traditional Name: (5-cyano-2-fluoro-benzyl)-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H25FN3O3+ MolecularWeight: 386.439903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)C#N)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)C#N)F)OCC

InChI

InChI=1S/C21H24FN3O3/c1-4-27-19-9-7-17(11-20(19)28-5-2)24-21(26)14-25(3)13-16-10-15(12-23)6-8-18(16)22/h6-11H,4-5,13-14H2,1-3H3,(H,24,26)/p+1