N-[1-(3-azanyl-3-methyl-imidazol-3-ium-4-yl)-1-(4-cyano-3-fluoranyl-phenyl)ethyl]ethanamide

Systemtic Name: N-[1-(3-azanyl-3-methyl-imidazol-3-ium-4-yl)-1-(4-cyano-3-fluoranyl-phenyl)ethyl]ethanamide Openeye Name: N-[1-(3-amino-3-methyl-imidazol-3-ium-4-yl)-1-(4-cyano-3-fluoro-phenyl)ethyl]acetamide CAS Name: N-[1-(3-amino-3-methyl-4-imidazol-3-iumyl)-1-(4-cyano-3-fluorophenyl)ethyl]acetamide IUPAC Name: N-[1-(3-amino-3-methylimidazol-3-ium-4-yl)-1-(4-cyano-3-fluorophenyl)ethyl]acetamide Traditional Name: N-[1-(3-amino-3-methyl-imidazol-3-ium-4-yl)-1-(4-cyano-3-fluoro-phenyl)ethyl]acetamide Formula: C15H17FN5O+ MolecularWeight: 302.326783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C)(C1=CC(=C(C=C1)C#N)F)C2=CN=C[N+]2(C)N

Isomeric SMILES

CC(=O)NC(C)(C1=CC(=C(C=C1)C#N)F)C2=CN=C[N+]2(C)N

InChI

InChI=1S/C15H16FN5O/c1-10(22)20-15(2,14-8-19-9-21(14,3)18)12-5-4-11(7-17)13(16)6-12/h4-6,8-9H,18H2,1-3H3/p+1