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

Systemtic Name: N-[1-(3-azanyl-3-methyl-imidazol-3-ium-4-yl)-1-(4-cyano-3-fluoranyl-phenyl)ethyl]ethanamide dihydrochloride Openeye Name: N-[1-(3-amino-3-methyl-imidazol-3-ium-4-yl)-1-(4-cyano-3-fluoro-phenyl)ethyl]acetamide dihydrochloride CAS Name: N-[1-(3-amino-3-methyl-4-imidazol-3-iumyl)-1-(4-cyano-3-fluorophenyl)ethyl]acetamide dihydrochloride IUPAC Name: N-[1-(3-amino-3-methylimidazol-3-ium-4-yl)-1-(4-cyano-3-fluorophenyl)ethyl]acetamide dihydrochloride Traditional Name: N-[1-(3-amino-3-methyl-imidazol-3-ium-4-yl)-1-(4-cyano-3-fluoro-phenyl)ethyl]acetamide dihydrochloride Formula: C15H19Cl2FN5O+ MolecularWeight: 375.248663

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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.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H16FN5O.2ClH/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;2*1H/p+1