N-[4-[5-(4-fluorophenyl)-1-oxidanidyl-3-(2-prop-2-ynoxyethyl)imidazol-1-ium-4-yl]pyridin-2-yl]ethanamide

Systemtic Name: N-[4-[5-(4-fluorophenyl)-1-oxidanidyl-3-(2-prop-2-ynoxyethyl)imidazol-1-ium-4-yl]pyridin-2-yl]ethanamide Openeye Name: N-[4-[5-(4-fluorophenyl)-1-oxido-3-(2-prop-2-ynoxyethyl)imidazol-1-ium-4-yl]-2-pyridyl]acetamide CAS Name: N-[4-[5-(4-fluorophenyl)-1-oxido-3-(2-prop-2-ynoxyethyl)-4-imidazol-1-iumyl]-2-pyridinyl]acetamide IUPAC Name: N-[4-[5-(4-fluorophenyl)-1-oxido-3-(2-prop-2-ynoxyethyl)imidazol-1-ium-4-yl]pyridin-2-yl]acetamide Traditional Name: N-[4-[5-(4-fluorophenyl)-1-oxido-3-(2-propargyloxyethyl)imidazol-1-ium-4-yl]-2-pyridyl]acetamide Formula: C21H19FN4O3 MolecularWeight: 394.398963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=C1)C2=C([N+](=CN2CCOCC#C)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)C2=C([N+](=CN2CCOCC#C)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN4O3/c1-3-11-29-12-10-25-14-26(28)21(16-4-6-18(22)7-5-16)20(25)17-8-9-23-19(13-17)24-15(2)27/h1,4-9,13-14H,10-12H2,2H3,(H,23,24,27)