N-[3,4-bis(fluoranyl)phenyl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(3,4-difluorophenyl)-2-[(2R)-2-(5-methylisoxazol-3-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(3,4-difluorophenyl)-2-[(2R)-2-(5-methyl-3-isoxazolyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(3,4-difluorophenyl)-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(3,4-difluorophenyl)-2-[(2R)-2-(5-methylisoxazol-3-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C16H18F2N3O2+ MolecularWeight: 322.329826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C2CCC[NH+]2CC(=O)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

CC1=CC(=NO1)[C@H]2CCC[NH+]2CC(=O)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C16H17F2N3O2/c1-10-7-14(20-23-10)15-3-2-6-21(15)9-16(22)19-11-4-5-12(17)13(18)8-11/h4-5,7-8,15H,2-3,6,9H2,1H3,(H,19,22)/p+1/t15-/m1/s1