N-[2-[5-(2-acetamidopyridin-4-yl)-4-(4-fluorophenyl)-3-oxidanidyl-imidazol-3-ium-1-yl]ethyl]ethanamide

Systemtic Name: N-[2-[5-(2-acetamidopyridin-4-yl)-4-(4-fluorophenyl)-3-oxidanidyl-imidazol-3-ium-1-yl]ethyl]ethanamide Openeye Name: N-[2-[5-(2-acetamido-4-pyridyl)-4-(4-fluorophenyl)-3-oxido-imidazol-3-ium-1-yl]ethyl]acetamide CAS Name: N-[2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-3-oxido-1-imidazol-3-iumyl]ethyl]acetamide IUPAC Name: N-[2-[5-(2-acetamidopyridin-4-yl)-4-(4-fluorophenyl)-3-oxidoimidazol-3-ium-1-yl]ethyl]acetamide Traditional Name: N-[2-[5-(2-acetamido-4-pyridyl)-4-(4-fluorophenyl)-3-oxido-imidazol-3-ium-1-yl]ethyl]acetamide Formula: C20H20FN5O3 MolecularWeight: 397.402903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1C=[N+](C(=C1C2=CC(=NC=C2)NC(=O)C)C3=CC=C(C=C3)F)[O-]

Isomeric SMILES

CC(=O)NCCN1C=[N+](C(=C1C2=CC(=NC=C2)NC(=O)C)C3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C20H20FN5O3/c1-13(27)22-9-10-25-12-26(29)20(15-3-5-17(21)6-4-15)19(25)16-7-8-23-18(11-16)24-14(2)28/h3-8,11-12H,9-10H2,1-2H3,(H,22,27)(H,23,24,28)