3-fluoranyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 3-fluoranyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Openeye Name: 3-fluoro-N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide CAS Name: 3-fluoro-N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-N-[2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Traditional Name: 3-fluoro-N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Formula: C20H26FN4O3+ MolecularWeight: 389.443843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CC[NH+]2CCCCC2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CC[NH+]2CCCCC2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H25FN4O3/c1-15-12-18(23-28-15)22-19(26)14-25(11-10-24-8-3-2-4-9-24)20(27)16-6-5-7-17(21)13-16/h5-7,12-13H,2-4,8-11,14H2,1H3,(H,22,23,26)/p+1